NPASS Natural Product

Natural Product: NPC220923

Natural Product ID:	NPC220923
Common Name:	Piperchabamide C
IUPAC Name:	(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yltrideca-2,4,12-trien-1-one
Synonyms:
Molecular Formula:	C25H33NO3
Standard InCHIKey:	AVGVCMDFODSDCK-ODWZBEOQSA-N
Standard InCHI:	InChI=1S/C25H33NO3/c27-25(26-18-12-9-13-19-26)15-11-8-6-4-2-1-3-5-7-10-14-22-16-17-23-24(20-22)29-21-28-23/h6,8,10-11,14-17,20H,1-5,7,9,12-13,18-19,21H2/b8-6+,14-10+,15-11+
Canonical SMILES:	O=C(N1CCCCC1)/C=C/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO7158	Schefflera venulosa	Species	Araliaceae	Eukaryota	UNPD*
NPO9166	Monascus rubropunctatus	Species	Fellodistomidae	Eukaryota	UNPD*
NPO10666	Verbesina virginica	Species	Asteraceae	Eukaryota	UNPD*
NPO10274	Pothomorphe peltata	NA	NA	NA	UNPD*
NPO2393	Matsumurella chinensis	Species	Lamiaceae	Eukaryota	UNPD*
NPO23642	Penicillium tardum	Species	Aspergillaceae	Eukaryota	UNPD*
NPO876	Didymosphaeria enalia	Species	Didymosphaeriaceae	Eukaryota	UNPD*
NPO13059	Abies webbiana	Species	Pinaceae	Eukaryota	UNPD*
NPO6880	Crocus corsicus	Species	Iridaceae	Eukaryota	UNPD*
NPO12125	Pseudomonas stutzeri	Species	Pseudomonadaceae	Bacteria	UNPD*
NPO26237	Piper longum	Species	Piperaceae	Eukaryota	TM-MC*
NPO8639	Agaricus xanthodermus	Species	Agaricaceae	Eukaryota	UNPD*
NPO964	Homalium laurifolium	Species	Salicaceae	Eukaryota	UNPD*
NPO6648	Piper retrofractum	Species	Piperaceae	Eukaryota	TCMID*
NPO3968	Dracontium loretense	Species	Araceae	Eukaryota	UNPD*
NPO6544	Carpesium longifolium	Species	Asteraceae	Eukaryota	UNPD*
NPO9950	Coelogyne nitida	Species	Orchidaceae	Eukaryota	UNPD*
NPO11511	Cochlearia officinalis	Species	Brassicaceae	Eukaryota	UNPD*
NPO10459	Brickellia longifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO12383	Frullania brasiliensis	Species	Frullaniaceae	Eukaryota	UNPD*
NPO43	Leifsonia aquatica	Species	Microbacteriaceae	Bacteria	UNPD*
NPO7536	Mycoplasma mycoides	Species	Mycoplasmataceae	Bacteria	UNPD*
NPO6648	Piper retrofractum	Species	Piperaceae	Eukaryota	UNPD*
NPO27487	Silene banksia	Species	Caryophyllaceae	Eukaryota	UNPD*
NPO2840	Podocarpus minor	Species	Podocarpaceae	Eukaryota	UNPD*
NPO11137	Dichotomanthes tristaniicarpa	Species	Rosaceae	Eukaryota	UNPD*
NPO230	Palisota barteri	Species	Commelinaceae	Eukaryota	UNPD*
NPO4251	Photorhabdus luminescens	Species	Morganellaceae	Bacteria	UNPD*
NPO6428	Euphorbia wangii	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO12488	Bupleurum rigidum	Species	Apiaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	3
Others	18

Activity Type	# Activity
Cell Line	16
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	42	%	18289853
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	52	%	18289853
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	68	%	18289853
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	9.4	%	18477507
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	17.6	%	18477507
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	-10.2	%	18477507
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	-11	%	18477507
NPT2	Others	Unspecified		Inhibition	=	23	%	19775895
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	52	%	19775895
NPT2	Others	Unspecified		Inhibition	=	86	%	19775895
NPT2	Others	Unspecified		Inhibition	=	9	%	19775895
NPT2	Others	Unspecified		Inhibition	=	10	%	19775895
NPT1460	Cell Line	L929	Mus musculus	Inhibition	=	2	%	19775895
NPT1460	Cell Line	L929	Mus musculus	Inhibition	=	25	%	19775895
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	42	%	19775895
NPT993	Cell Line	Hepatocyte	Mus musculus	Inhibition	=	68	%	19775895
NPT1460	Cell Line	L929	Mus musculus	Inhibition	=	92	%	19775895
NPT993	Cell Line	Hepatocyte	Mus musculus	IC50	=	6700	nM	19775895
NPT2	Others	Unspecified		IC50	=	42000	nM	19775895
NPT1460	Cell Line	L929	Mus musculus	IC50	=	42000	nM	19775895

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC220923 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	154
0.1-0.2	1102
0.2-0.3	3886
0.3-0.4	9186
0.4-0.5	3486
0.5-0.6	9212
0.6-0.7	3418
0.7-0.8	399
0.8-0.85	10
0.85-0.9	9
0.9-0.95	15
0.95-1	12

Similarity Score	Similarity Level	Natural Product ID
0.9922	High Similarity	NPC99078
0.9846	High Similarity	NPC252107
0.9845	High Similarity	NPC255817
0.9845	High Similarity	NPC277042
0.9845	High Similarity	NPC230698
0.9845	High Similarity	NPC73883
0.9845	High Similarity	NPC251454
0.9845	High Similarity	NPC196609
0.9845	High Similarity	NPC136330
0.9845	High Similarity	NPC205178
0.9767	High Similarity	NPC167096
0.9695	High Similarity	NPC470707
0.9394	High Similarity	NPC96406
0.9323	High Similarity	NPC145446
0.9323	High Similarity	NPC137172
0.9318	High Similarity	NPC94280
0.9318	High Similarity	NPC103947
0.9318	High Similarity	NPC45783
0.9318	High Similarity	NPC159150
0.9318	High Similarity	NPC193673
0.9318	High Similarity	NPC328419
0.9254	High Similarity	NPC95366
0.9254	High Similarity	NPC225745
0.9254	High Similarity	NPC248505
0.9248	High Similarity	NPC180647
0.9167	High Similarity	NPC217574
0.9037	High Similarity	NPC469808
0.8889	High Similarity	NPC471073
0.8889	High Similarity	NPC270811
0.8881	High Similarity	NPC318862
0.8832	High Similarity	NPC28641
0.8832	High Similarity	NPC194359
0.8768	High Similarity	NPC231572
0.8592	High Similarity	NPC244338
0.8531	High Similarity	NPC469978
0.8514	High Similarity	NPC169742
0.8299	Intermediate Similarity	NPC470088
0.8247	Intermediate Similarity	NPC231198
0.8227	Intermediate Similarity	NPC416184
0.8227	Intermediate Similarity	NPC7018
0.82	Intermediate Similarity	NPC470708
0.8169	Intermediate Similarity	NPC214036
0.8169	Intermediate Similarity	NPC113236
0.8121	Intermediate Similarity	NPC223125
0.8045	Intermediate Similarity	NPC69670
0.8013	Intermediate Similarity	NPC223124
0.7987	Intermediate Similarity	NPC475959
0.7987	Intermediate Similarity	NPC106786
0.7971	Intermediate Similarity	NPC218323
0.7955	Intermediate Similarity	NPC111225
0.7949	Intermediate Similarity	NPC59567
0.7943	Intermediate Similarity	NPC118419
0.7941	Intermediate Similarity	NPC256167
0.7929	Intermediate Similarity	NPC470706
0.7914	Intermediate Similarity	NPC291449
0.7914	Intermediate Similarity	NPC172403
0.7914	Intermediate Similarity	NPC41331
0.7895	Intermediate Similarity	NPC212643
0.7895	Intermediate Similarity	NPC199209
0.7868	Intermediate Similarity	NPC114845
0.7862	Intermediate Similarity	NPC241055
0.7842	Intermediate Similarity	NPC156944
0.7842	Intermediate Similarity	NPC251466
0.7801	Intermediate Similarity	NPC160193
0.7786	Intermediate Similarity	NPC99798
0.7786	Intermediate Similarity	NPC157740
0.7786	Intermediate Similarity	NPC64948
0.7786	Intermediate Similarity	NPC191302
0.7778	Intermediate Similarity	NPC57501
0.7778	Intermediate Similarity	NPC148898
0.7778	Intermediate Similarity	NPC11147
0.777	Intermediate Similarity	NPC207541
0.777	Intermediate Similarity	NPC170583
0.777	Intermediate Similarity	NPC71105
0.777	Intermediate Similarity	NPC246133
0.777	Intermediate Similarity	NPC152186
0.777	Intermediate Similarity	NPC182147
0.7769	Intermediate Similarity	NPC31279
0.773	Intermediate Similarity	NPC147247
0.773	Intermediate Similarity	NPC246974
0.773	Intermediate Similarity	NPC469977
0.7712	Intermediate Similarity	NPC119669
0.7708	Intermediate Similarity	NPC473463
0.7698	Intermediate Similarity	NPC300955
0.7692	Intermediate Similarity	NPC127326
0.7677	Intermediate Similarity	NPC41178
0.7677	Intermediate Similarity	NPC76079
0.7677	Intermediate Similarity	NPC78733
0.7677	Intermediate Similarity	NPC93593
0.7677	Intermediate Similarity	NPC138487
0.7677	Intermediate Similarity	NPC216459
0.7673	Intermediate Similarity	NPC306669
0.7673	Intermediate Similarity	NPC168409
0.7671	Intermediate Similarity	NPC193528
0.7667	Intermediate Similarity	NPC145304
0.7662	Intermediate Similarity	NPC233029
0.7662	Intermediate Similarity	NPC210148
0.7643	Intermediate Similarity	NPC85830
0.7639	Intermediate Similarity	NPC266425
0.7632	Intermediate Similarity	NPC37144
0.7632	Intermediate Similarity	NPC59907
0.7628	Intermediate Similarity	NPC146288
0.7628	Intermediate Similarity	NPC31311
0.7628	Intermediate Similarity	NPC234392
0.7619	Intermediate Similarity	NPC471650
0.7609	Intermediate Similarity	NPC193484
0.7605	Intermediate Similarity	NPC116007
0.7597	Intermediate Similarity	NPC476579
0.7591	Intermediate Similarity	NPC344161
0.7586	Intermediate Similarity	NPC282477
0.7586	Intermediate Similarity	NPC284855
0.7569	Intermediate Similarity	NPC477706
0.7568	Intermediate Similarity	NPC314682
0.7554	Intermediate Similarity	NPC298486
0.7551	Intermediate Similarity	NPC254610
0.7534	Intermediate Similarity	NPC475828
0.7532	Intermediate Similarity	NPC329640
0.7517	Intermediate Similarity	NPC213206
0.7517	Intermediate Similarity	NPC474915
0.7517	Intermediate Similarity	NPC328750
0.7517	Intermediate Similarity	NPC188163
0.7515	Intermediate Similarity	NPC169387
0.7515	Intermediate Similarity	NPC477259
0.75	Intermediate Similarity	NPC477694
0.75	Intermediate Similarity	NPC83511
0.75	Intermediate Similarity	NPC4669
0.75	Intermediate Similarity	NPC477705
0.7484	Intermediate Similarity	NPC306902
0.7484	Intermediate Similarity	NPC215829
0.7484	Intermediate Similarity	NPC97072
0.7484	Intermediate Similarity	NPC474852
0.7484	Intermediate Similarity	NPC477559
0.7484	Intermediate Similarity	NPC266753
0.7484	Intermediate Similarity	NPC232924
0.7484	Intermediate Similarity	NPC8337
0.7484	Intermediate Similarity	NPC160298
0.7484	Intermediate Similarity	NPC85747
0.7483	Intermediate Similarity	NPC167944
0.7483	Intermediate Similarity	NPC231884
0.7483	Intermediate Similarity	NPC42793
0.7482	Intermediate Similarity	NPC301641
0.7482	Intermediate Similarity	NPC80241
0.7468	Intermediate Similarity	NPC211296
0.7451	Intermediate Similarity	NPC95075
0.7451	Intermediate Similarity	NPC253883
0.7451	Intermediate Similarity	NPC90844
0.7445	Intermediate Similarity	NPC277460
0.744	Intermediate Similarity	NPC102760
0.7439	Intermediate Similarity	NPC67978
0.7439	Intermediate Similarity	NPC303581
0.7436	Intermediate Similarity	NPC476580
0.7434	Intermediate Similarity	NPC130926
0.7426	Intermediate Similarity	NPC268317
0.7423	Intermediate Similarity	NPC86469
0.7421	Intermediate Similarity	NPC118804
0.7421	Intermediate Similarity	NPC477080
0.7421	Intermediate Similarity	NPC111485
0.7413	Intermediate Similarity	NPC286683
0.7407	Intermediate Similarity	NPC474858
0.7397	Intermediate Similarity	NPC160692
0.7376	Intermediate Similarity	NPC249788
0.7375	Intermediate Similarity	NPC135006
0.7372	Intermediate Similarity	NPC120075
0.7372	Intermediate Similarity	NPC280001
0.7372	Intermediate Similarity	NPC185738
0.7368	Intermediate Similarity	NPC179309
0.7365	Intermediate Similarity	NPC131204
0.7365	Intermediate Similarity	NPC301050
0.7365	Intermediate Similarity	NPC307682
0.7362	Intermediate Similarity	NPC474324
0.7362	Intermediate Similarity	NPC57812
0.7355	Intermediate Similarity	NPC469540
0.7355	Intermediate Similarity	NPC219162
0.7355	Intermediate Similarity	NPC469539
0.7351	Intermediate Similarity	NPC138438
0.7351	Intermediate Similarity	NPC908
0.7349	Intermediate Similarity	NPC308267
0.7349	Intermediate Similarity	NPC181905
0.7346	Intermediate Similarity	NPC232514
0.7346	Intermediate Similarity	NPC276944
0.7346	Intermediate Similarity	NPC238530
0.7346	Intermediate Similarity	NPC225774
0.7343	Intermediate Similarity	NPC301713
0.7321	Intermediate Similarity	NPC27887
0.732	Intermediate Similarity	NPC185838
0.7317	Intermediate Similarity	NPC473748
0.7317	Intermediate Similarity	NPC475845
0.7315	Intermediate Similarity	NPC230968
0.7315	Intermediate Similarity	NPC102260
0.7315	Intermediate Similarity	NPC253429
0.731	Intermediate Similarity	NPC476748
0.7303	Intermediate Similarity	NPC136860
0.7303	Intermediate Similarity	NPC476567
0.7303	Intermediate Similarity	NPC128019
0.7301	Intermediate Similarity	NPC329717
0.7301	Intermediate Similarity	NPC476432
0.7301	Intermediate Similarity	NPC219341
0.7301	Intermediate Similarity	NPC24264
0.7296	Intermediate Similarity	NPC57512
0.7286	Intermediate Similarity	NPC471877

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC220923 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	140
0.1-0.2	649
0.2-0.3	981
0.3-0.4	2065
0.4-0.5	2708
0.5-0.6	1828
0.6-0.7	699
0.7-0.8	87
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9845	High Similarity	NPD2492	Phase 1
0.8345	Intermediate Similarity	NPD5297	Approved
0.8027	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD5718	Phase 2
0.7857	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7817	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD7110	Phase 1
0.7582	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD3885	Approved
0.7552	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD824	Approved
0.7483	Intermediate Similarity	NPD6895	Approved
0.7483	Intermediate Similarity	NPD6896	Approved
0.7468	Intermediate Similarity	NPD5978	Approved
0.7468	Intermediate Similarity	NPD5977	Approved
0.7452	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD4210	Discontinued
0.7389	Intermediate Similarity	NPD6385	Approved
0.7389	Intermediate Similarity	NPD6873	Phase 2
0.7389	Intermediate Similarity	NPD6386	Approved
0.7381	Intermediate Similarity	NPD7280	Phase 3
0.7381	Intermediate Similarity	NPD7281	Phase 3
0.7375	Intermediate Similarity	NPD5604	Discontinued
0.7372	Intermediate Similarity	NPD5536	Phase 2
0.7351	Intermediate Similarity	NPD4237	Approved
0.7351	Intermediate Similarity	NPD4236	Phase 3
0.7338	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD6875	Approved
0.7325	Intermediate Similarity	NPD6876	Approved
0.7301	Intermediate Similarity	NPD4166	Phase 2
0.7297	Intermediate Similarity	NPD2653	Approved
0.7279	Intermediate Similarity	NPD3142	Approved
0.7279	Intermediate Similarity	NPD3140	Approved
0.7266	Intermediate Similarity	NPD1357	Approved
0.7254	Intermediate Similarity	NPD1421	Approved
0.7254	Intermediate Similarity	NPD1420	Approved
0.7248	Intermediate Similarity	NPD6111	Discontinued
0.7248	Intermediate Similarity	NPD743	Approved
0.7244	Intermediate Similarity	NPD3639	Approved
0.7244	Intermediate Similarity	NPD3641	Approved
0.7244	Intermediate Similarity	NPD3640	Phase 3
0.7234	Intermediate Similarity	NPD3705	Approved
0.7226	Intermediate Similarity	NPD4584	Approved
0.7226	Intermediate Similarity	NPD3146	Approved
0.7226	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD5457	Discontinued
0.7188	Intermediate Similarity	NPD2977	Approved
0.7188	Intermediate Similarity	NPD2978	Approved
0.7143	Intermediate Similarity	NPD6382	Discontinued
0.7135	Intermediate Similarity	NPD6618	Phase 2
0.7124	Intermediate Similarity	NPD5177	Phase 3
0.7108	Intermediate Similarity	NPD2898	Approved
0.7105	Intermediate Similarity	NPD3656	Approved
0.7097	Intermediate Similarity	NPD7124	Phase 2
0.7095	Intermediate Similarity	NPD3530	Approved
0.7095	Intermediate Similarity	NPD2674	Phase 3
0.7095	Intermediate Similarity	NPD3531	Approved
0.7095	Intermediate Similarity	NPD3532	Approved
0.7095	Intermediate Similarity	NPD2245	Discovery
0.7092	Intermediate Similarity	NPD2667	Approved
0.7092	Intermediate Similarity	NPD2668	Approved
0.7088	Intermediate Similarity	NPD7607	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD5313	Approved
0.7083	Intermediate Similarity	NPD5312	Approved
0.708	Intermediate Similarity	NPD5283	Phase 1
0.7067	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD4357	Discontinued
0.7044	Intermediate Similarity	NPD4017	Approved
0.7039	Intermediate Similarity	NPD1725	Approved
0.7037	Intermediate Similarity	NPD5353	Approved
0.7032	Intermediate Similarity	NPD2219	Phase 1
0.7032	Intermediate Similarity	NPD5241	Discontinued
0.7027	Intermediate Similarity	NPD3144	Approved
0.7027	Intermediate Similarity	NPD3145	Approved
0.7025	Intermediate Similarity	NPD6031	Approved
0.7025	Intermediate Similarity	NPD6030	Approved
0.702	Intermediate Similarity	NPD7119	Phase 2
0.7014	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD3060	Approved
0.7013	Intermediate Similarity	NPD4162	Approved
0.7011	Intermediate Similarity	NPD3349	Phase 2
0.7011	Intermediate Similarity	NPD7291	Discontinued
0.7006	Intermediate Similarity	NPD1424	Approved
0.7	Intermediate Similarity	NPD6297	Approved
0.6993	Remote Similarity	NPD1375	Discontinued
0.6986	Remote Similarity	NPD7905	Discontinued
0.6975	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD5773	Approved
0.6975	Remote Similarity	NPD5772	Approved
0.6968	Remote Similarity	NPD5481	Discontinued
0.6957	Remote Similarity	NPD4773	Phase 2
0.6957	Remote Similarity	NPD4772	Phase 2
0.6948	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD2232	Approved
0.6944	Remote Similarity	NPD2233	Approved
0.6944	Remote Similarity	NPD2230	Approved
0.6937	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD6853	Approved
0.6936	Remote Similarity	NPD6851	Approved
0.6933	Remote Similarity	NPD3109	Approved
0.6933	Remote Similarity	NPD3110	Approved
0.6928	Remote Similarity	NPD6107	Approved
0.6923	Remote Similarity	NPD3447	Discontinued
0.6923	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD1670	Discontinued
0.6918	Remote Similarity	NPD2122	Discontinued
0.6918	Remote Similarity	NPD4727	Phase 1
0.6914	Remote Similarity	NPD3383	Approved
0.6914	Remote Similarity	NPD3382	Approved
0.6914	Remote Similarity	NPD7298	Approved
0.6914	Remote Similarity	NPD3384	Approved
0.6913	Remote Similarity	NPD3374	Clinical (unspecified phase)
0.691	Remote Similarity	NPD6493	Phase 3
0.6905	Remote Similarity	NPD4481	Phase 3
0.6899	Remote Similarity	NPD4739	Approved
0.6889	Remote Similarity	NPD1358	Approved
0.6886	Remote Similarity	NPD6071	Discontinued
0.6879	Remote Similarity	NPD5295	Discontinued
0.6879	Remote Similarity	NPD2120	Phase 2
0.6875	Remote Similarity	NPD4124	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD5582	Discontinued
0.6871	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD5677	Discontinued
0.6859	Remote Similarity	NPD5754	Discontinued
0.6855	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD2922	Phase 1
0.6846	Remote Similarity	NPD5746	Approved
0.6839	Remote Similarity	NPD7153	Discontinued
0.6836	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD2560	Approved
0.6829	Remote Similarity	NPD2563	Approved
0.6824	Remote Similarity	NPD2040	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD2161	Phase 2
0.6815	Remote Similarity	NPD3134	Approved
0.6813	Remote Similarity	NPD5976	Discontinued
0.6813	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD228	Approved
0.6809	Remote Similarity	NPD3596	Phase 2
0.6803	Remote Similarity	NPD4098	Discontinued
0.68	Remote Similarity	NPD1336	Approved
0.6796	Remote Similarity	NPD4420	Approved
0.6792	Remote Similarity	NPD1754	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD6788	Approved
0.6783	Remote Similarity	NPD2595	Approved
0.6783	Remote Similarity	NPD2594	Approved
0.678	Remote Similarity	NPD7235	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD160	Clinical (unspecified phase)
0.677	Remote Similarity	NPD3687	Approved
0.677	Remote Similarity	NPD3686	Approved
0.6768	Remote Similarity	NPD4585	Approved
0.6766	Remote Similarity	NPD2041	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD2042	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD7018	Phase 2
0.6755	Remote Similarity	NPD5745	Approved
0.6753	Remote Similarity	NPD4108	Discontinued
0.6752	Remote Similarity	NPD6331	Phase 2
0.6752	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.675	Remote Similarity	NPD1975	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD8031	Discontinued
0.6747	Remote Similarity	NPD7833	Phase 2
0.6747	Remote Similarity	NPD7831	Phase 2
0.6747	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD1309	Phase 2
0.6747	Remote Similarity	NPD1307	Phase 2
0.6746	Remote Similarity	NPD2388	Discontinued
0.6746	Remote Similarity	NPD5242	Approved
0.6743	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD5163	Phase 2
0.6728	Remote Similarity	NPD3866	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD5967	Approved
0.6726	Remote Similarity	NPD7802	Discontinued
0.6724	Remote Similarity	NPD7549	Discontinued
0.6713	Remote Similarity	NPD2486	Discontinued
0.6707	Remote Similarity	NPD7248	Discontinued
0.669	Remote Similarity	NPD3294	Phase 2
0.6689	Remote Similarity	NPD1039	Discontinued
0.6689	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD2335	Discontinued
0.6687	Remote Similarity	NPD2592	Discontinued
0.6687	Remote Similarity	NPD4123	Phase 3
0.6686	Remote Similarity	NPD3051	Approved
0.6685	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5865	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3281	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4084	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1669	Approved
0.6667	Remote Similarity	NPD6830	Clinical (unspecified phase)

Structure

CID220923 OpenBabel06191716012D 29 31 0 0 0 0 0 0 0 0999 V2000 7.8793 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6113 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4773 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9414 -3.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 -2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8075 -2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8075 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9414 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9414 -1.1910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8075 0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 22 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 26 1 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44454018
ChEMBL	CHEMBL270620
ZINC

Physicochemical Properties

Molecular Weight:	395.25
ALogP:	-1.1224
MLogP:	3.77
XLogP:	7.203
# Rotatable Bonds:	11
Polar Surface Area:	38.77
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	29

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