NPASS Natural Product

Natural Product: NPC202904

Natural Product ID:	NPC202904
Common Name:	1-[(1R,2S,3S,4R)-2,3-Dimethyl-4-(2,4,5-Trimethoxyphenyl)Cyclobutyl]-2,4,5-Trimethoxybenzene
IUPAC Name:	1-[(1R,2S,3S,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
Synonyms:
Molecular Formula:	C24H32O6
Standard InCHIKey:	WCERJEZPIONOJU-NHCASCSRSA-N
Standard InCHI:	InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1
Canonical SMILES:	COc1cc(OC)c(cc1[C@@H]1[C@@H](C)[C@@H]([C@H]1c1cc(OC)c(cc1OC)OC)C)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO11492	Kopsia grandifolia	Species	Apocynaceae	Eukaryota	UNPD*
NPO8650	Perilla frutescens	Species	Lamiaceae	Eukaryota	UNPD*
NPO13014	Ipomoea cairica	Species	Convolvulaceae	Eukaryota	UNPD*
NPO10550	Artemisia hanseniana	Species	Asteraceae	Eukaryota	UNPD*
NPO4004	Aquilegia ecalcarata	Species	Ranunculaceae	Eukaryota	UNPD*
NPO16703	Isodon lophanthoides	Species	Lamiaceae	Eukaryota	UNPD*
NPO8068	Blumea mollis	Species	Asteraceae	Eukaryota	UNPD*
NPO14358	Rhodobacter sphaeroides	Species	Rhodobacteraceae	Bacteria	UNPD*
NPO13467	Anarsia lineatella	Species	Gelechiidae	Eukaryota	UNPD*
NPO12489	Ligularia myriocephala	Species	Asteraceae	Eukaryota	UNPD*
NPO3465	Aconitum leucostomum	Species	Ranunculaceae	Eukaryota	UNPD*
NPO16124	Hyptis capitata	Species	Lamiaceae	Eukaryota	UNPD*
NPO205	Lasianthus fordii	Species	Rubiaceae	Eukaryota	UNPD*
NPO4671	Persea mexicana	Species	Lauraceae	Eukaryota	UNPD*
NPO8892	Sordaria araneosa	Species	Sordariaceae	Eukaryota	UNPD*
NPO15201	Sagartia troglodytes	Species	Sagartiidae	Eukaryota	UNPD*
NPO11998	Ledebouria socialis	Species	Hyacinthaceae	Eukaryota	UNPD*
NPO12509	Dipterocarpus dyeri	Species	Dipterocarpaceae	Eukaryota	UNPD*
NPO11426	Parmelia sulcata	Species	Parmeliaceae	Eukaryota	UNPD*
NPO13968	Garcinia scortechinii	Species	Clusiaceae	Eukaryota	UNPD*
NPO5191	Penicillium cinerascens	Species	Aspergillaceae	Eukaryota	UNPD*
NPO10998	Calanthe discolor	Species	Orchidaceae	Eukaryota	UNPD*
NPO15587	Lamium purpureum	Species	Lamiaceae	Eukaryota	UNPD*
NPO14806	Saprolegnia ferax	Species	Saprolegniaceae	Eukaryota	UNPD*
NPO746	Panax innovans	Species	Araliaceae	Eukaryota	UNPD*
NPO14057	Apollonias barbujana	Species	Lauraceae	Eukaryota	UNPD*
NPO12357	Lycopus europaeus	Species	Lamiaceae	Eukaryota	UNPD*
NPO7016	Gardenia tubifera	Species	Rubiaceae	Eukaryota	UNPD*
NPO1795	Fragaria vesca	Species	Rosaceae	Eukaryota	UNPD*
NPO14162	Chlorophytum borivilianum	Species	Asparagaceae	Eukaryota	UNPD*
NPO13766	Ceanothus velutinus	Species	Rhamnaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Cell Line	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	5900	nM	11844692
NPT1460	Cell Line	L929	Mus musculus	Activity	=	26	%	11844692
NPT2	Others	Unspecified		Inhibition	=	17	%	11844692

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 NPC202904 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	380
0.1-0.2	1317
0.2-0.3	2877
0.3-0.4	8817
0.4-0.5	4396
0.5-0.6	2999
0.6-0.7	6254
0.7-0.8	3026
0.8-0.85	583
0.85-0.9	215
0.9-0.95	24
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC189248
0.944	High Similarity	NPC237169
0.944	High Similarity	NPC470624
0.9339	High Similarity	NPC477886
0.9286	High Similarity	NPC224157
0.9286	High Similarity	NPC192687
0.928	High Similarity	NPC207702
0.928	High Similarity	NPC149008
0.928	High Similarity	NPC283114
0.9206	High Similarity	NPC190144
0.9141	High Similarity	NPC6451
0.912	High Similarity	NPC9891
0.912	High Similarity	NPC88297
0.912	High Similarity	NPC186845
0.9091	High Similarity	NPC308217
0.9091	High Similarity	NPC475961
0.9091	High Similarity	NPC254625
0.9062	High Similarity	NPC45715
0.9062	High Similarity	NPC12275
0.9062	High Similarity	NPC141493
0.9062	High Similarity	NPC232275
0.9062	High Similarity	NPC184928
0.9062	High Similarity	NPC474356
0.9008	High Similarity	NPC474612
0.9	High Similarity	NPC474478
0.8992	High Similarity	NPC102256
0.8984	High Similarity	NPC311680
0.8984	High Similarity	NPC51840
0.8984	High Similarity	NPC299221
0.8984	High Similarity	NPC234488
0.8968	High Similarity	NPC285725
0.8968	High Similarity	NPC112571
0.8968	High Similarity	NPC50683
0.8934	High Similarity	NPC15805
0.8926	High Similarity	NPC52464
0.8926	High Similarity	NPC304208
0.8906	High Similarity	NPC58164
0.8906	High Similarity	NPC10225
0.8898	High Similarity	NPC473092
0.8898	High Similarity	NPC471986
0.8898	High Similarity	NPC8050
0.8898	High Similarity	NPC473093
0.8898	High Similarity	NPC242032
0.8889	High Similarity	NPC105925
0.8864	High Similarity	NPC197166
0.8864	High Similarity	NPC173660
0.8846	High Similarity	NPC475856
0.8843	High Similarity	NPC123948
0.8828	High Similarity	NPC266691
0.8828	High Similarity	NPC222127
0.8828	High Similarity	NPC31707
0.8828	High Similarity	NPC281864
0.8828	High Similarity	NPC54321
0.8828	High Similarity	NPC82862
0.8828	High Similarity	NPC328682
0.8819	High Similarity	NPC76451
0.8819	High Similarity	NPC223953
0.88	High Similarity	NPC264885
0.879	High Similarity	NPC472596
0.8788	High Similarity	NPC195022
0.8788	High Similarity	NPC111655
0.876	High Similarity	NPC475815
0.876	High Similarity	NPC473264
0.875	High Similarity	NPC74817
0.875	High Similarity	NPC246620
0.875	High Similarity	NPC82679
0.875	High Similarity	NPC124452
0.875	High Similarity	NPC324112
0.875	High Similarity	NPC293054
0.875	High Similarity	NPC169474
0.875	High Similarity	NPC127587
0.875	High Similarity	NPC236791
0.875	High Similarity	NPC282000
0.875	High Similarity	NPC159968
0.8731	High Similarity	NPC127218
0.8731	High Similarity	NPC9068
0.8731	High Similarity	NPC245207
0.8731	High Similarity	NPC30951
0.8731	High Similarity	NPC319647
0.8731	High Similarity	NPC6369
0.8731	High Similarity	NPC25966
0.8731	High Similarity	NPC471388
0.873	High Similarity	NPC282496
0.873	High Similarity	NPC233526
0.8722	High Similarity	NPC205442
0.8712	High Similarity	NPC469659
0.8712	High Similarity	NPC56764
0.8712	High Similarity	NPC188378
0.8712	High Similarity	NPC276026
0.8712	High Similarity	NPC555
0.8712	High Similarity	NPC145722
0.8712	High Similarity	NPC7515
0.8712	High Similarity	NPC185680
0.8712	High Similarity	NPC289258
0.8712	High Similarity	NPC256776
0.8712	High Similarity	NPC206737
0.8692	High Similarity	NPC214860
0.8692	High Similarity	NPC126836
0.8689	High Similarity	NPC81067
0.8689	High Similarity	NPC9341
0.8682	High Similarity	NPC28765
0.8682	High Similarity	NPC154866
0.8672	High Similarity	NPC78974
0.8672	High Similarity	NPC28730
0.8672	High Similarity	NPC223136
0.8672	High Similarity	NPC18924
0.8672	High Similarity	NPC103823
0.8672	High Similarity	NPC112596
0.8672	High Similarity	NPC44748
0.8672	High Similarity	NPC214406
0.8667	High Similarity	NPC27495
0.8667	High Similarity	NPC254759
0.8667	High Similarity	NPC284464
0.8667	High Similarity	NPC160283
0.8667	High Similarity	NPC259519
0.8657	High Similarity	NPC90615
0.8657	High Similarity	NPC276490
0.8657	High Similarity	NPC272157
0.8657	High Similarity	NPC201145
0.8657	High Similarity	NPC865
0.8657	High Similarity	NPC73535
0.8657	High Similarity	NPC25111
0.8657	High Similarity	NPC6262
0.8651	High Similarity	NPC261661
0.8651	High Similarity	NPC270326
0.8651	High Similarity	NPC194626
0.8647	High Similarity	NPC180602
0.8647	High Similarity	NPC55239
0.8647	High Similarity	NPC214853
0.8647	High Similarity	NPC240279
0.8626	High Similarity	NPC474017
0.8626	High Similarity	NPC474238
0.8626	High Similarity	NPC471983
0.8626	High Similarity	NPC149337
0.8615	High Similarity	NPC474227
0.8615	High Similarity	NPC469951
0.8615	High Similarity	NPC45824
0.8615	High Similarity	NPC469963
0.8605	High Similarity	NPC266555
0.8605	High Similarity	NPC252131
0.8603	High Similarity	NPC471389
0.8603	High Similarity	NPC311530
0.8603	High Similarity	NPC247291
0.8595	High Similarity	NPC204120
0.8595	High Similarity	NPC165106
0.8594	High Similarity	NPC234400
0.8594	High Similarity	NPC203133
0.8594	High Similarity	NPC233410
0.8594	High Similarity	NPC116907
0.8594	High Similarity	NPC251855
0.8594	High Similarity	NPC265483
0.8594	High Similarity	NPC82483
0.8594	High Similarity	NPC472093
0.8594	High Similarity	NPC117214
0.8594	High Similarity	NPC193544
0.8594	High Similarity	NPC298757
0.8594	High Similarity	NPC64391
0.8594	High Similarity	NPC299584
0.8594	High Similarity	NPC221077
0.8594	High Similarity	NPC475169
0.8594	High Similarity	NPC17943
0.8594	High Similarity	NPC57490
0.8594	High Similarity	NPC208950
0.8594	High Similarity	NPC60885
0.8593	High Similarity	NPC471183
0.8593	High Similarity	NPC29868
0.8593	High Similarity	NPC212942
0.8593	High Similarity	NPC292882
0.8593	High Similarity	NPC79622
0.8582	High Similarity	NPC265433
0.8582	High Similarity	NPC472336
0.8582	High Similarity	NPC78047
0.8582	High Similarity	NPC32189
0.8582	High Similarity	NPC133025
0.8582	High Similarity	NPC286843
0.8582	High Similarity	NPC476639
0.8582	High Similarity	NPC114155
0.8582	High Similarity	NPC300846
0.8582	High Similarity	NPC162659
0.8582	High Similarity	NPC472334
0.8582	High Similarity	NPC270456
0.8582	High Similarity	NPC248727
0.8571	High Similarity	NPC75713
0.8571	High Similarity	NPC474600
0.8571	High Similarity	NPC312713
0.8571	High Similarity	NPC285289
0.8571	High Similarity	NPC172676
0.8571	High Similarity	NPC126935
0.8571	High Similarity	NPC65933
0.8571	High Similarity	NPC209199
0.8571	High Similarity	NPC57268
0.8571	High Similarity	NPC216929
0.8561	High Similarity	NPC175067
0.8561	High Similarity	NPC261812
0.8561	High Similarity	NPC65183
0.8561	High Similarity	NPC204215
0.8561	High Similarity	NPC72046
0.8561	High Similarity	NPC127624
0.8551	High Similarity	NPC63879
0.855	High Similarity	NPC476399

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC202904 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	358
0.1-0.2	985
0.2-0.3	1601
0.3-0.4	2822
0.4-0.5	1726
0.5-0.6	1006
0.6-0.7	557
0.7-0.8	96
0.8-0.85	9
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8595	High Similarity	NPD5283	Phase 1
0.8473	Intermediate Similarity	NPD3027	Phase 3
0.8462	Intermediate Similarity	NPD3018	Phase 2
0.8359	Intermediate Similarity	NPD2981	Phase 2
0.8295	Intermediate Similarity	NPD2982	Phase 2
0.8295	Intermediate Similarity	NPD2983	Phase 2
0.8182	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.812	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD1613	Approved
0.8015	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.797	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD7124	Phase 2
0.7863	Intermediate Similarity	NPD3705	Approved
0.7857	Intermediate Similarity	NPD3539	Phase 1
0.7852	Intermediate Similarity	NPD4908	Phase 1
0.7842	Intermediate Similarity	NPD6111	Discontinued
0.7832	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD3540	Phase 1
0.774	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7737	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD1610	Phase 2
0.7647	Intermediate Similarity	NPD2861	Phase 2
0.7615	Intermediate Similarity	NPD5536	Phase 2
0.7612	Intermediate Similarity	NPD4749	Approved
0.7597	Intermediate Similarity	NPD5494	Approved
0.755	Intermediate Similarity	NPD37	Approved
0.75	Intermediate Similarity	NPD2801	Approved
0.7482	Intermediate Similarity	NPD5110	Phase 2
0.7482	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD5109	Approved
0.7482	Intermediate Similarity	NPD5111	Phase 2
0.7468	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD1548	Phase 1
0.7422	Intermediate Similarity	NPD228	Approved
0.741	Intermediate Similarity	NPD4625	Phase 3
0.7403	Intermediate Similarity	NPD4966	Approved
0.7403	Intermediate Similarity	NPD4965	Approved
0.7403	Intermediate Similarity	NPD4967	Phase 2
0.7357	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD4005	Discontinued
0.7343	Intermediate Similarity	NPD6896	Approved
0.7343	Intermediate Similarity	NPD6895	Approved
0.7333	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD6674	Discontinued
0.7328	Intermediate Similarity	NPD6671	Approved
0.732	Intermediate Similarity	NPD1934	Approved
0.7308	Intermediate Similarity	NPD6234	Discontinued
0.7299	Intermediate Similarity	NPD2922	Phase 1
0.7292	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD3022	Approved
0.7266	Intermediate Similarity	NPD4750	Phase 3
0.7266	Intermediate Similarity	NPD3021	Approved
0.725	Intermediate Similarity	NPD7473	Discontinued
0.7244	Intermediate Similarity	NPD4055	Discovery
0.7226	Intermediate Similarity	NPD6374	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD3817	Phase 2
0.7226	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD7199	Phase 2
0.7214	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3657	Discovery
0.7197	Intermediate Similarity	NPD7157	Approved
0.7174	Intermediate Similarity	NPD8651	Approved
0.7171	Intermediate Similarity	NPD1653	Approved
0.717	Intermediate Similarity	NPD6232	Discontinued
0.7162	Intermediate Similarity	NPD7466	Approved
0.7161	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5844	Phase 1
0.7152	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5090	Approved
0.7143	Intermediate Similarity	NPD5089	Approved
0.7133	Intermediate Similarity	NPD3620	Phase 2
0.7133	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD4060	Phase 1
0.7133	Intermediate Similarity	NPD4357	Discontinued
0.7132	Intermediate Similarity	NPD5451	Approved
0.7125	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD6100	Approved
0.7123	Intermediate Similarity	NPD6099	Approved
0.7114	Intermediate Similarity	NPD2219	Phase 1
0.7113	Intermediate Similarity	NPD5718	Phase 2
0.7099	Intermediate Similarity	NPD7843	Approved
0.7099	Intermediate Similarity	NPD7228	Approved
0.7095	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD5177	Phase 3
0.7091	Intermediate Similarity	NPD7549	Discontinued
0.708	Intermediate Similarity	NPD1611	Approved
0.7078	Intermediate Similarity	NPD4675	Approved
0.7078	Intermediate Similarity	NPD4678	Approved
0.707	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD3882	Suspended
0.707	Intermediate Similarity	NPD6788	Approved
0.7068	Intermediate Similarity	NPD6387	Discontinued
0.7054	Intermediate Similarity	NPD2684	Approved
0.7051	Intermediate Similarity	NPD4585	Approved
0.705	Intermediate Similarity	NPD6696	Suspended
0.7047	Intermediate Similarity	NPD3892	Phase 2
0.702	Intermediate Similarity	NPD1511	Approved
0.7019	Intermediate Similarity	NPD3926	Phase 2
0.7014	Intermediate Similarity	NPD2238	Phase 2
0.7007	Intermediate Similarity	NPD2796	Approved
0.7007	Intermediate Similarity	NPD2935	Discontinued
0.7	Intermediate Similarity	NPD1247	Approved
0.6994	Remote Similarity	NPD8251	Approved
0.6994	Remote Similarity	NPD8252	Approved
0.6994	Remote Similarity	NPD8099	Discontinued
0.6985	Remote Similarity	NPD5691	Approved
0.6985	Remote Similarity	NPD1651	Approved
0.6984	Remote Similarity	NPD846	Approved
0.6984	Remote Similarity	NPD940	Approved
0.6978	Remote Similarity	NPD5327	Phase 3
0.6975	Remote Similarity	NPD6166	Phase 2
0.6975	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1424	Approved
0.697	Remote Similarity	NPD5535	Approved
0.6966	Remote Similarity	NPD6355	Discontinued
0.6959	Remote Similarity	NPD1375	Discontinued
0.6957	Remote Similarity	NPD422	Phase 1
0.6951	Remote Similarity	NPD8156	Discontinued
0.6939	Remote Similarity	NPD3748	Approved
0.6934	Remote Similarity	NPD17	Approved
0.6934	Remote Similarity	NPD4626	Approved
0.6933	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD7240	Approved
0.6928	Remote Similarity	NPD1512	Approved
0.6923	Remote Similarity	NPD7095	Approved
0.6914	Remote Similarity	NPD5242	Approved
0.6913	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD7074	Phase 3
0.6908	Remote Similarity	NPD5297	Approved
0.6908	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD2232	Approved
0.6906	Remote Similarity	NPD2233	Approved
0.6906	Remote Similarity	NPD2230	Approved
0.6905	Remote Similarity	NPD1242	Phase 1
0.6899	Remote Similarity	NPD5353	Approved
0.6897	Remote Similarity	NPD1558	Phase 1
0.6897	Remote Similarity	NPD1240	Approved
0.6887	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD3496	Discontinued
0.6879	Remote Similarity	NPD3384	Approved
0.6879	Remote Similarity	NPD3382	Approved
0.6879	Remote Similarity	NPD3383	Approved
0.6867	Remote Similarity	NPD4237	Approved
0.6867	Remote Similarity	NPD4236	Phase 3
0.6867	Remote Similarity	NPD3060	Approved
0.6863	Remote Similarity	NPD7447	Phase 1
0.6863	Remote Similarity	NPD4584	Approved
0.6863	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD5585	Approved
0.6861	Remote Similarity	NPD1357	Approved
0.6859	Remote Similarity	NPD6876	Approved
0.6859	Remote Similarity	NPD6875	Approved
0.6848	Remote Similarity	NPD7054	Approved
0.6846	Remote Similarity	NPD5763	Approved
0.6846	Remote Similarity	NPD5762	Approved
0.6842	Remote Similarity	NPD7635	Approved
0.6835	Remote Similarity	NPD1465	Phase 2
0.6835	Remote Similarity	NPD1281	Approved
0.6835	Remote Similarity	NPD7819	Suspended
0.6835	Remote Similarity	NPD1091	Approved
0.6832	Remote Similarity	NPD5677	Discontinued
0.6825	Remote Similarity	NPD3020	Approved
0.6824	Remote Similarity	NPD1510	Phase 2
0.6821	Remote Similarity	NPD4110	Phase 3
0.6821	Remote Similarity	NPD6331	Phase 2
0.6821	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD1350	Approved
0.6818	Remote Similarity	NPD1349	Approved
0.6818	Remote Similarity	NPD1351	Approved
0.6818	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD709	Approved
0.6812	Remote Similarity	NPD2668	Approved
0.6812	Remote Similarity	NPD2667	Approved
0.6807	Remote Similarity	NPD7472	Approved
0.6806	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD1607	Approved
0.6803	Remote Similarity	NPD4097	Suspended
0.68	Remote Similarity	NPD2808	Discontinued
0.6797	Remote Similarity	NPD6799	Approved
0.6788	Remote Similarity	NPD3818	Discontinued
0.6786	Remote Similarity	NPD1608	Approved
0.6783	Remote Similarity	NPD2237	Approved
0.6781	Remote Similarity	NPD2979	Phase 3
0.6779	Remote Similarity	NPD2438	Suspended
0.6776	Remote Similarity	NPD2677	Approved
0.677	Remote Similarity	NPD919	Approved
0.6769	Remote Similarity	NPD968	Approved
0.6767	Remote Similarity	NPD1137	Approved
0.6767	Remote Similarity	NPD1139	Approved
0.6765	Remote Similarity	NPD7340	Approved
0.6757	Remote Similarity	NPD4536	Approved
0.6757	Remote Similarity	NPD4538	Approved
0.6757	Remote Similarity	NPD2200	Suspended

Structure

CID202904 OpenBabel06191715592D 30 32 0 0 1 0 0 0 0 0999 V2000 1.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 4.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 3.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 3.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4824 2.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 0.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 4.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 18 2 0 0 0 0 12 22 1 0 0 0 0 13 1 1 1 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 2 1 6 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 15 1 6 0 0 0 23 24 1 0 0 0 0 24 16 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	10341859
ChEMBL	CHEMBL345432
ZINC

Physicochemical Properties

Molecular Weight:	416.22
ALogP:	-0.3058
MLogP:	3.44
XLogP:	4.504
# Rotatable Bonds:	16
Polar Surface Area:	55.38
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	30

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