NPASS Natural Product

Natural Product: NPC247389

Natural Product ID:	NPC247389
Common Name:	n.a.
IUPAC Name:
Synonyms:	O-Methylbulbocapnine
Molecular Formula:	C20H21NO4
Standard InCHIKey:	GDVPELGSXTWKDA-ZDUSSCGKSA-N
Standard InCHI:	InChI=1S/C20H21NO4/c1-21-7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(22-2)19(23-3)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3/t13-/m0/s1
Canonical SMILES:	COc1c(OC)ccc2c1c1c3OCOc3cc3c1[C@H](C2)N(C)CC3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO22727	Avena fatua	Species	Poaceae	Eukaryota	UNPD*
NPO16798	Piper sylvaticum	Species	Piperaceae	Eukaryota	UNPD*
NPO21569	Helichrysum fulvum	Species	Asteraceae	Eukaryota	UNPD*
NPO25345	Corydalis ternata	Species	Papaveraceae	Eukaryota	TM-MC*
NPO13962	Corydalis turtschaninovii	Species	Papaveraceae	Eukaryota	TM-MC*
NPO827	Corydalis yanhusuo	Species	Papaveraceae	Eukaryota	TM-MC*
NPO2204	Lindera megaphylla	Species	Lauraceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
Others	14

Activity Type	# Activity
Others	10
Tissue	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	47.9	%	9214740
NPT2	Others	Unspecified		Activity	=	0	%	9214740
NPT2	Others	Unspecified		Activity	=	75.1	%	9214740
NPT2	Others	Unspecified		Activity	=	50.4	%	9214740
NPT2	Others	Unspecified		Activity	=	72.5	%	9214740
NPT2	Others	Unspecified		Activity	=	83.4	%	9214740
NPT2	Others	Unspecified		Activity	=	73	%	10.1021/np50123a013
NPT2	Others	Unspecified		Activity	=	60.8	%	10.1021/np50123a013
NPT177	Tissue	Aorta	Rattus norvegicus	Activity	=	22.9	%	10.1021/np50123a013
NPT177	Tissue	Aorta	Rattus norvegicus	Activity	=	68.1	%	10.1021/np50123a013
NPT177	Tissue	Aorta	Rattus norvegicus	Activity	=	55.2	%	10.1021/np50123a013
NPT177	Tissue	Aorta	Rattus norvegicus	Activity	=	88.5	%	10.1021/np50123a013

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 NPC247389 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	272
0.1-0.2	1235
0.2-0.3	4002
0.3-0.4	8125
0.4-0.5	4278
0.5-0.6	8957
0.6-0.7	3227
0.7-0.8	473
0.8-0.85	176
0.85-0.9	69
0.9-0.95	57
0.95-1	18

Similarity Score	Similarity Level	Natural Product ID
0.9935	High Similarity	NPC476432
0.9935	High Similarity	NPC219341
0.9935	High Similarity	NPC24264
0.987	High Similarity	NPC16805
0.987	High Similarity	NPC167546
0.987	High Similarity	NPC225774
0.987	High Similarity	NPC302527
0.9744	High Similarity	NPC210918
0.9675	High Similarity	NPC232924
0.9675	High Similarity	NPC160298
0.9675	High Similarity	NPC306902
0.9675	High Similarity	NPC266753
0.9675	High Similarity	NPC477559
0.9565	High Similarity	NPC320223
0.9565	High Similarity	NPC114364
0.956	High Similarity	NPC149090
0.956	High Similarity	NPC19520
0.9545	High Similarity	NPC476572
0.9497	High Similarity	NPC6152
0.9441	High Similarity	NPC128560
0.9441	High Similarity	NPC199465
0.9441	High Similarity	NPC229166
0.9416	High Similarity	NPC325871
0.9416	High Similarity	NPC99659
0.939	High Similarity	NPC248642
0.9371	High Similarity	NPC298979
0.9333	High Similarity	NPC156576
0.9329	High Similarity	NPC32413
0.9329	High Similarity	NPC474506
0.9313	High Similarity	NPC241055
0.9308	High Similarity	NPC304659
0.9308	High Similarity	NPC86144
0.9268	High Similarity	NPC258695
0.9268	High Similarity	NPC126284
0.9268	High Similarity	NPC470879
0.9245	High Similarity	NPC168409
0.9221	High Similarity	NPC81733
0.9221	High Similarity	NPC326316
0.9217	High Similarity	NPC135772
0.9207	High Similarity	NPC23219
0.9182	High Similarity	NPC189470
0.9157	High Similarity	NPC116284
0.9152	High Similarity	NPC267408
0.9146	High Similarity	NPC112575
0.913	High Similarity	NPC117188
0.913	High Similarity	NPC158376
0.913	High Similarity	NPC205421
0.913	High Similarity	NPC12053
0.913	High Similarity	NPC145832
0.913	High Similarity	NPC306555
0.913	High Similarity	NPC81218
0.913	High Similarity	NPC474931
0.9096	High Similarity	NPC476574
0.9096	High Similarity	NPC155442
0.9096	High Similarity	NPC312918
0.9096	High Similarity	NPC477561
0.9091	High Similarity	NPC148693
0.9091	High Similarity	NPC118633
0.9091	High Similarity	NPC294790
0.9085	High Similarity	NPC477558
0.9053	High Similarity	NPC237579
0.9045	High Similarity	NPC138487
0.9045	High Similarity	NPC244112
0.9045	High Similarity	NPC216459
0.9045	High Similarity	NPC41178
0.9026	High Similarity	NPC475959
0.9006	High Similarity	NPC253043
0.9006	High Similarity	NPC78222
0.9006	High Similarity	NPC196447
0.9006	High Similarity	NPC96603
0.9006	High Similarity	NPC212794
0.9006	High Similarity	NPC306843
0.9006	High Similarity	NPC477563
0.9006	High Similarity	NPC13504
0.9006	High Similarity	NPC136508
0.8994	High Similarity	NPC57036
0.8994	High Similarity	NPC214116
0.8987	High Similarity	NPC146288
0.8944	High Similarity	NPC1229
0.8944	High Similarity	NPC324144
0.8902	High Similarity	NPC152212
0.8889	High Similarity	NPC82763
0.8868	High Similarity	NPC203784
0.8868	High Similarity	NPC234392
0.8868	High Similarity	NPC170503
0.8868	High Similarity	NPC126519
0.8868	High Similarity	NPC31311
0.8846	High Similarity	NPC211296
0.883	High Similarity	NPC186546
0.883	High Similarity	NPC312531
0.883	High Similarity	NPC476576
0.882	High Similarity	NPC166014
0.882	High Similarity	NPC27410
0.8817	High Similarity	NPC476575
0.8805	High Similarity	NPC76079
0.8797	High Similarity	NPC210148
0.8797	High Similarity	NPC233029
0.8795	High Similarity	NPC477020
0.8795	High Similarity	NPC66341
0.8795	High Similarity	NPC192135
0.8795	High Similarity	NPC2314
0.878	High Similarity	NPC204947
0.8758	High Similarity	NPC477080
0.8757	High Similarity	NPC179704
0.8735	High Similarity	NPC239775
0.8728	High Similarity	NPC475754
0.8726	High Similarity	NPC219162
0.8706	High Similarity	NPC275132
0.8698	High Similarity	NPC220961
0.869	High Similarity	NPC287588
0.8688	High Similarity	NPC93593
0.8678	High Similarity	NPC117717
0.8675	High Similarity	NPC26240
0.8675	High Similarity	NPC69712
0.8675	High Similarity	NPC118274
0.8675	High Similarity	NPC477562
0.8675	High Similarity	NPC168753
0.8662	High Similarity	NPC130941
0.8659	High Similarity	NPC276944
0.8659	High Similarity	NPC238530
0.8659	High Similarity	NPC232514
0.8599	High Similarity	NPC253883
0.8599	High Similarity	NPC106295
0.8599	High Similarity	NPC95075
0.8599	High Similarity	NPC476144
0.8599	High Similarity	NPC51957
0.8599	High Similarity	NPC90844
0.8599	High Similarity	NPC16107
0.8599	High Similarity	NPC210437
0.8596	High Similarity	NPC249405
0.859	High Similarity	NPC145304
0.8571	High Similarity	NPC470925
0.8571	High Similarity	NPC328750
0.8571	High Similarity	NPC474915
0.8571	High Similarity	NPC213206
0.8571	High Similarity	NPC188163
0.8554	High Similarity	NPC150879
0.8544	High Similarity	NPC7467
0.8537	High Similarity	NPC60186
0.8528	High Similarity	NPC111485
0.8519	High Similarity	NPC180756
0.8519	High Similarity	NPC323443
0.8506	High Similarity	NPC474904
0.8506	High Similarity	NPC314682
0.8494	Intermediate Similarity	NPC35627
0.8494	Intermediate Similarity	NPC476573
0.8494	Intermediate Similarity	NPC81247
0.8491	Intermediate Similarity	NPC92541
0.8488	Intermediate Similarity	NPC73492
0.8488	Intermediate Similarity	NPC299990
0.8488	Intermediate Similarity	NPC233718
0.848	Intermediate Similarity	NPC474507
0.8466	Intermediate Similarity	NPC302001
0.8462	Intermediate Similarity	NPC476567
0.8462	Intermediate Similarity	NPC128019
0.8462	Intermediate Similarity	NPC136860
0.8452	Intermediate Similarity	NPC75958
0.8447	Intermediate Similarity	NPC470924
0.8443	Intermediate Similarity	NPC474324
0.8443	Intermediate Similarity	NPC57812
0.8439	Intermediate Similarity	NPC302275
0.8421	Intermediate Similarity	NPC190461
0.8402	Intermediate Similarity	NPC65403
0.8393	Intermediate Similarity	NPC475845
0.8373	Intermediate Similarity	NPC233650
0.8373	Intermediate Similarity	NPC320104
0.8365	Intermediate Similarity	NPC144863
0.8363	Intermediate Similarity	NPC173416
0.8363	Intermediate Similarity	NPC148709
0.8363	Intermediate Similarity	NPC476577
0.8344	Intermediate Similarity	NPC78733
0.8344	Intermediate Similarity	NPC123323
0.8343	Intermediate Similarity	NPC14507
0.8343	Intermediate Similarity	NPC311991
0.8343	Intermediate Similarity	NPC474708
0.8343	Intermediate Similarity	NPC47077
0.8333	Intermediate Similarity	NPC26601
0.8333	Intermediate Similarity	NPC181653
0.8333	Intermediate Similarity	NPC148898
0.8333	Intermediate Similarity	NPC190332
0.8323	Intermediate Similarity	NPC180306
0.8323	Intermediate Similarity	NPC134858
0.8314	Intermediate Similarity	NPC477560
0.8313	Intermediate Similarity	NPC59907
0.8313	Intermediate Similarity	NPC37144
0.8312	Intermediate Similarity	NPC7018
0.8304	Intermediate Similarity	NPC187678
0.8294	Intermediate Similarity	NPC477640
0.8294	Intermediate Similarity	NPC225597
0.8294	Intermediate Similarity	NPC470739
0.8293	Intermediate Similarity	NPC186063
0.8284	Intermediate Similarity	NPC266176
0.8284	Intermediate Similarity	NPC158148
0.8284	Intermediate Similarity	NPC290759
0.8284	Intermediate Similarity	NPC82533
0.8278	Intermediate Similarity	NPC23080
0.8278	Intermediate Similarity	NPC193906
0.8268	Intermediate Similarity	NPC162653
0.8256	Intermediate Similarity	NPC241704
0.825	Intermediate Similarity	NPC476151

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC247389 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	196
0.1-0.2	750
0.2-0.3	876
0.3-0.4	1906
0.4-0.5	2723
0.5-0.6	1876
0.6-0.7	664
0.7-0.8	153
0.8-0.85	15
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8599	High Similarity	NPD4584	Approved
0.8571	High Similarity	NPD4664	Clinical (unspecified phase)
0.8393	Intermediate Similarity	NPD4481	Phase 3
0.8383	Intermediate Similarity	NPD3051	Approved
0.8291	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.8225	Intermediate Similarity	NPD2970	Approved
0.8225	Intermediate Similarity	NPD2969	Approved
0.8081	Intermediate Similarity	NPD8099	Discontinued
0.8081	Intermediate Similarity	NPD8252	Approved
0.8081	Intermediate Similarity	NPD8251	Approved
0.8075	Intermediate Similarity	NPD2421	Approved
0.8075	Intermediate Similarity	NPD2420	Approved
0.807	Intermediate Similarity	NPD27	Approved
0.807	Intermediate Similarity	NPD2489	Approved
0.8035	Intermediate Similarity	NPD8156	Discontinued
0.8034	Intermediate Similarity	NPD7906	Approved
0.8012	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7976	Intermediate Similarity	NPD6788	Approved
0.7939	Intermediate Similarity	NPD4017	Approved
0.791	Intermediate Similarity	NPD7311	Approved
0.791	Intermediate Similarity	NPD7312	Approved
0.791	Intermediate Similarity	NPD2968	Approved
0.791	Intermediate Similarity	NPD4577	Approved
0.791	Intermediate Similarity	NPD2971	Approved
0.791	Intermediate Similarity	NPD7313	Approved
0.791	Intermediate Similarity	NPD4578	Approved
0.791	Intermediate Similarity	NPD7310	Approved
0.7904	Intermediate Similarity	NPD7298	Approved
0.788	Intermediate Similarity	NPD4420	Approved
0.7877	Intermediate Similarity	NPD4663	Approved
0.7865	Intermediate Similarity	NPD7309	Approved
0.7857	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD3110	Approved
0.7771	Intermediate Similarity	NPD3109	Approved
0.7765	Intermediate Similarity	NPD8053	Approved
0.7765	Intermediate Similarity	NPD8054	Approved
0.773	Intermediate Similarity	NPD5241	Discontinued
0.7713	Intermediate Similarity	NPD5005	Approved
0.7713	Intermediate Similarity	NPD5006	Approved
0.7711	Intermediate Similarity	NPD3639	Approved
0.7711	Intermediate Similarity	NPD6030	Approved
0.7711	Intermediate Similarity	NPD3640	Phase 3
0.7711	Intermediate Similarity	NPD3641	Approved
0.7711	Intermediate Similarity	NPD6031	Approved
0.7711	Intermediate Similarity	NPD4727	Phase 1
0.7688	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7657	Intermediate Similarity	NPD2898	Approved
0.7644	Intermediate Similarity	NPD6071	Discontinued
0.7634	Intermediate Similarity	NPD2973	Approved
0.7634	Intermediate Similarity	NPD2975	Approved
0.7634	Intermediate Similarity	NPD2974	Approved
0.7616	Intermediate Similarity	NPD7831	Phase 2
0.7616	Intermediate Similarity	NPD7833	Phase 2
0.7616	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD2563	Approved
0.7602	Intermediate Similarity	NPD2560	Approved
0.758	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD5754	Discontinued
0.7554	Intermediate Similarity	NPD2488	Approved
0.7554	Intermediate Similarity	NPD2490	Approved
0.7544	Intermediate Similarity	NPD2978	Approved
0.7544	Intermediate Similarity	NPD2977	Approved
0.7532	Intermediate Similarity	NPD5718	Phase 2
0.7529	Intermediate Similarity	NPD4772	Phase 2
0.7529	Intermediate Similarity	NPD4773	Phase 2
0.7515	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD5604	Discontinued
0.7513	Intermediate Similarity	NPD4580	Approved
0.7487	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7802	Discontinued
0.7484	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD2494	Approved
0.7474	Intermediate Similarity	NPD3452	Approved
0.7474	Intermediate Similarity	NPD3450	Approved
0.7474	Intermediate Similarity	NPD2493	Approved
0.7443	Intermediate Similarity	NPD4010	Discontinued
0.7414	Intermediate Similarity	NPD4055	Discovery
0.7396	Intermediate Similarity	NPD5976	Discontinued
0.7386	Intermediate Similarity	NPD6107	Approved
0.7381	Intermediate Similarity	NPD1424	Approved
0.7375	Intermediate Similarity	NPD4475	Approved
0.7375	Intermediate Similarity	NPD4474	Approved
0.7371	Intermediate Similarity	NPD7400	Phase 3
0.7365	Intermediate Similarity	NPD2422	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD3845	Phase 1
0.7363	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD4582	Approved
0.7358	Intermediate Similarity	NPD4583	Approved
0.7356	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD4166	Phase 2
0.7337	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD5087	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD4859	Phase 1
0.733	Intermediate Similarity	NPD4107	Approved
0.7322	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7322	Intermediate Similarity	NPD7281	Phase 3
0.7322	Intermediate Similarity	NPD7280	Phase 3
0.7321	Intermediate Similarity	NPD3124	Discontinued
0.7318	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD3763	Approved
0.7306	Intermediate Similarity	NPD4002	Approved
0.7306	Intermediate Similarity	NPD4004	Approved
0.7301	Intermediate Similarity	NPD6895	Approved
0.7301	Intermediate Similarity	NPD6896	Approved
0.7296	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD8095	Phase 1
0.7262	Intermediate Similarity	NPD7124	Phase 2
0.7258	Intermediate Similarity	NPD7243	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD6297	Approved
0.7239	Intermediate Similarity	NPD2492	Phase 1
0.7232	Intermediate Similarity	NPD5677	Discontinued
0.7228	Intermediate Similarity	NPD5917	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD7598	Phase 2
0.7211	Intermediate Similarity	NPD5582	Discontinued
0.7202	Intermediate Similarity	NPD4482	Phase 3
0.72	Intermediate Similarity	NPD5977	Approved
0.72	Intermediate Similarity	NPD5978	Approved
0.7189	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD4236	Phase 3
0.7186	Intermediate Similarity	NPD4237	Approved
0.7186	Intermediate Similarity	NPD5177	Phase 3
0.7179	Intermediate Similarity	NPD3705	Approved
0.7176	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD7047	Phase 3
0.7158	Intermediate Similarity	NPD6996	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD4108	Discontinued
0.7143	Intermediate Similarity	NPD5312	Approved
0.7143	Intermediate Similarity	NPD5313	Approved
0.7143	Intermediate Similarity	NPD6748	Discontinued
0.7135	Intermediate Similarity	NPD6037	Discontinued
0.7122	Intermediate Similarity	NPD6997	Phase 2
0.7111	Intermediate Similarity	NPD6687	Approved
0.7111	Intermediate Similarity	NPD6688	Approved
0.71	Intermediate Similarity	NPD3816	Phase 1
0.71	Intermediate Similarity	NPD7827	Phase 1
0.71	Intermediate Similarity	NPD3815	Phase 1
0.7099	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6851	Approved
0.7097	Intermediate Similarity	NPD6853	Approved
0.7086	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD3384	Approved
0.7086	Intermediate Similarity	NPD3382	Approved
0.7086	Intermediate Similarity	NPD3383	Approved
0.7077	Intermediate Similarity	NPD3057	Approved
0.7074	Intermediate Similarity	NPD3349	Phase 2
0.7066	Intermediate Similarity	NPD1375	Discontinued
0.7052	Intermediate Similarity	NPD4210	Discontinued
0.7049	Intermediate Similarity	NPD6042	Phase 2
0.7049	Intermediate Similarity	NPD42	Phase 2
0.7048	Intermediate Similarity	NPD1753	Discontinued
0.7045	Intermediate Similarity	NPD5772	Approved
0.7045	Intermediate Similarity	NPD5773	Approved
0.7041	Intermediate Similarity	NPD3977	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD7235	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD5155	Approved
0.7037	Intermediate Similarity	NPD5156	Approved
0.7035	Intermediate Similarity	NPD6090	Discontinued
0.703	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD6386	Approved
0.7029	Intermediate Similarity	NPD6385	Approved
0.7029	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD7110	Phase 1
0.7022	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6523	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD3885	Approved
0.7011	Intermediate Similarity	NPD4005	Discontinued
0.7005	Intermediate Similarity	NPD4040	Phase 1
0.6994	Remote Similarity	NPD1914	Approved
0.699	Remote Similarity	NPD3533	Approved
0.699	Remote Similarity	NPD2972	Approved
0.6984	Remote Similarity	NPD7291	Discontinued
0.6982	Remote Similarity	NPD6674	Discontinued
0.6982	Remote Similarity	NPD3060	Approved
0.6977	Remote Similarity	NPD4123	Phase 3
0.6975	Remote Similarity	NPD2606	Approved
0.6975	Remote Similarity	NPD2605	Approved
0.6975	Remote Similarity	NPD3594	Approved
0.6975	Remote Similarity	NPD3595	Approved
0.6974	Remote Similarity	NPD5457	Discontinued
0.6964	Remote Similarity	NPD4726	Approved
0.6964	Remote Similarity	NPD4721	Approved
0.6964	Remote Similarity	NPD4725	Approved
0.6961	Remote Similarity	NPD6747	Phase 1
0.6959	Remote Similarity	NPD6667	Approved
0.6959	Remote Similarity	NPD6666	Approved
0.6957	Remote Similarity	NPD7247	Discontinued
0.6949	Remote Similarity	NPD4585	Approved
0.6947	Remote Similarity	NPD3408	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7045	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD3635	Approved
0.6914	Remote Similarity	NPD3636	Approved
0.6914	Remote Similarity	NPD3637	Approved
0.6905	Remote Similarity	NPD1632	Clinical (unspecified phase)

Structure

CID247389 OpenBabel06191716052D 25 29 0 0 1 0 0 0 0 0999 V2000 -2.6007 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4257 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1984 -3.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 -4.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 -2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 -2.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 -2.7581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6346 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 -1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 -0.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -1.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 -0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -3.6868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 1.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 -0.7477 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 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 13 8 1 1 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 20 2 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10246564
ChEMBL	CHEMBL464955
ZINC

Physicochemical Properties

Molecular Weight:	339.15
ALogP:	-0.0116
MLogP:	3.11
XLogP:	2.164
# Rotatable Bonds:	5
Polar Surface Area:	40.16
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	25

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