NPASS Natural Product

Natural Product: NPC301713

Natural Product ID:	NPC301713
Common Name:	N-(3,4-Dimethoxyphenethyl)Cinnamamide
IUPAC Name:	(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
Synonyms:	N-(3,4-Dimethoxyphenethyl)Cinnamamide
Molecular Formula:	C19H21NO3
Standard InCHIKey:	YMZWKEYJSYDVKL-PKNBQFBNSA-N
Standard InCHI:	InChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+
Canonical SMILES:	COc1cc(CCN=C(/C=C/c2ccccc2)O)ccc1OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO24692	Zanthoxylum sp.	Species	Rutaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	20.1	%	18353644
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	6.7	%	18353644
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	3.26	%	18353644

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 NPC301713 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	117
0.1-0.2	1013
0.2-0.3	3560
0.3-0.4	9453
0.4-0.5	3093
0.5-0.6	7078
0.6-0.7	5069
0.7-0.8	1357
0.8-0.85	89
0.85-0.9	45
0.9-0.95	13
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9597	High Similarity	NPC214869
0.9512	High Similarity	NPC155838
0.9435	High Similarity	NPC195749
0.9435	High Similarity	NPC52029
0.9435	High Similarity	NPC35961
0.9431	High Similarity	NPC153990
0.936	High Similarity	NPC114102
0.9274	High Similarity	NPC251571
0.912	High Similarity	NPC186898
0.9077	High Similarity	NPC14600
0.9077	High Similarity	NPC160607
0.9077	High Similarity	NPC204848
0.9077	High Similarity	NPC41473
0.9077	High Similarity	NPC312770
0.9008	High Similarity	NPC299583
0.8984	High Similarity	NPC93882
0.8984	High Similarity	NPC130595
0.8915	High Similarity	NPC313737
0.8915	High Similarity	NPC285078
0.8915	High Similarity	NPC6854
0.8864	High Similarity	NPC296898
0.8852	High Similarity	NPC43275
0.8846	High Similarity	NPC218530
0.8828	High Similarity	NPC470706
0.8819	High Similarity	NPC157740
0.8819	High Similarity	NPC99798
0.878	High Similarity	NPC263835
0.876	High Similarity	NPC255550
0.876	High Similarity	NPC308885
0.875	High Similarity	NPC147247
0.875	High Similarity	NPC246974
0.874	High Similarity	NPC251466
0.874	High Similarity	NPC156944
0.8672	High Similarity	NPC291449
0.8672	High Similarity	NPC41331
0.8661	High Similarity	NPC207541
0.8661	High Similarity	NPC170583
0.8661	High Similarity	NPC182147
0.8661	High Similarity	NPC152186
0.8661	High Similarity	NPC71105
0.8661	High Similarity	NPC246133
0.8651	High Similarity	NPC211218
0.8647	High Similarity	NPC254610
0.8613	High Similarity	NPC5462
0.8583	High Similarity	NPC95733
0.8583	High Similarity	NPC300955
0.8583	High Similarity	NPC62101
0.8571	High Similarity	NPC471314
0.8571	High Similarity	NPC471315
0.8537	High Similarity	NPC283468
0.8537	High Similarity	NPC120075
0.8529	High Similarity	NPC100478
0.8529	High Similarity	NPC222039
0.8527	High Similarity	NPC172403
0.8527	High Similarity	NPC191302
0.8525	High Similarity	NPC303370
0.8504	High Similarity	NPC140359
0.8504	High Similarity	NPC13020
0.85	High Similarity	NPC182119
0.85	High Similarity	NPC166837
0.8489	Intermediate Similarity	NPC115144
0.8489	Intermediate Similarity	NPC277857
0.8468	Intermediate Similarity	NPC122009
0.8462	Intermediate Similarity	NPC469977
0.844	Intermediate Similarity	NPC478189
0.8429	Intermediate Similarity	NPC471032
0.8429	Intermediate Similarity	NPC470935
0.8425	Intermediate Similarity	NPC298486
0.84	Intermediate Similarity	NPC268572
0.8372	Intermediate Similarity	NPC29477
0.837	Intermediate Similarity	NPC193528
0.8333	Intermediate Similarity	NPC476570
0.8333	Intermediate Similarity	NPC471308
0.8333	Intermediate Similarity	NPC53596
0.8333	Intermediate Similarity	NPC17388
0.8333	Intermediate Similarity	NPC289330
0.8333	Intermediate Similarity	NPC160120
0.832	Intermediate Similarity	NPC470626
0.8298	Intermediate Similarity	NPC153644
0.8293	Intermediate Similarity	NPC142599
0.8284	Intermediate Similarity	NPC473463
0.8271	Intermediate Similarity	NPC118419
0.8268	Intermediate Similarity	NPC83279
0.8254	Intermediate Similarity	NPC256369
0.8254	Intermediate Similarity	NPC281298
0.8254	Intermediate Similarity	NPC310338
0.8252	Intermediate Similarity	NPC127402
0.8248	Intermediate Similarity	NPC477838
0.8248	Intermediate Similarity	NPC477837
0.824	Intermediate Similarity	NPC293619
0.8222	Intermediate Similarity	NPC11147
0.8211	Intermediate Similarity	NPC165106
0.8194	Intermediate Similarity	NPC275027
0.8189	Intermediate Similarity	NPC117780
0.8189	Intermediate Similarity	NPC56214
0.8189	Intermediate Similarity	NPC165133
0.8189	Intermediate Similarity	NPC227217
0.8189	Intermediate Similarity	NPC232316
0.8189	Intermediate Similarity	NPC242885
0.8189	Intermediate Similarity	NPC95614
0.8175	Intermediate Similarity	NPC474214
0.8175	Intermediate Similarity	NPC474040
0.8162	Intermediate Similarity	NPC167944
0.8162	Intermediate Similarity	NPC231884
0.8162	Intermediate Similarity	NPC42793
0.8148	Intermediate Similarity	NPC282477
0.8148	Intermediate Similarity	NPC284855
0.8125	Intermediate Similarity	NPC207613
0.8125	Intermediate Similarity	NPC52475
0.8125	Intermediate Similarity	NPC183262
0.8116	Intermediate Similarity	NPC77572
0.8115	Intermediate Similarity	NPC137685
0.811	Intermediate Similarity	NPC474320
0.8099	Intermediate Similarity	NPC24101
0.8099	Intermediate Similarity	NPC96224
0.8095	Intermediate Similarity	NPC280001
0.8095	Intermediate Similarity	NPC86947
0.8085	Intermediate Similarity	NPC185838
0.8082	Intermediate Similarity	NPC107602
0.808	Intermediate Similarity	NPC475815
0.808	Intermediate Similarity	NPC473264
0.808	Intermediate Similarity	NPC47194
0.8069	Intermediate Similarity	NPC18614
0.8067	Intermediate Similarity	NPC292792
0.8062	Intermediate Similarity	NPC160380
0.8062	Intermediate Similarity	NPC473853
0.8062	Intermediate Similarity	NPC184651
0.8062	Intermediate Similarity	NPC324571
0.8062	Intermediate Similarity	NPC54872
0.8062	Intermediate Similarity	NPC343720
0.8062	Intermediate Similarity	NPC312675
0.8062	Intermediate Similarity	NPC38996
0.8062	Intermediate Similarity	NPC262156
0.8062	Intermediate Similarity	NPC470212
0.8062	Intermediate Similarity	NPC113865
0.8062	Intermediate Similarity	NPC211992
0.806	Intermediate Similarity	NPC329595
0.806	Intermediate Similarity	NPC326599
0.8049	Intermediate Similarity	NPC257124
0.8049	Intermediate Similarity	NPC173746
0.8049	Intermediate Similarity	NPC8547
0.8049	Intermediate Similarity	NPC156840
0.8047	Intermediate Similarity	NPC321133
0.8017	Intermediate Similarity	NPC227894
0.8016	Intermediate Similarity	NPC81067
0.8016	Intermediate Similarity	NPC9341
0.8015	Intermediate Similarity	NPC105513
0.8	Intermediate Similarity	NPC30462
0.8	Intermediate Similarity	NPC85488
0.7986	Intermediate Similarity	NPC314682
0.7985	Intermediate Similarity	NPC160193
0.7984	Intermediate Similarity	NPC284078
0.7984	Intermediate Similarity	NPC165646
0.7972	Intermediate Similarity	NPC179825
0.7972	Intermediate Similarity	NPC191376
0.7972	Intermediate Similarity	NPC476151
0.7972	Intermediate Similarity	NPC321505
0.7953	Intermediate Similarity	NPC164386
0.7951	Intermediate Similarity	NPC75440
0.7939	Intermediate Similarity	NPC31344
0.7939	Intermediate Similarity	NPC317769
0.7939	Intermediate Similarity	NPC249788
0.7939	Intermediate Similarity	NPC471693
0.7939	Intermediate Similarity	NPC233526
0.7939	Intermediate Similarity	NPC280704
0.7939	Intermediate Similarity	NPC282496
0.7929	Intermediate Similarity	NPC323204
0.7929	Intermediate Similarity	NPC275150
0.7929	Intermediate Similarity	NPC328750
0.7929	Intermediate Similarity	NPC188163
0.7929	Intermediate Similarity	NPC213206
0.7929	Intermediate Similarity	NPC474915
0.7923	Intermediate Similarity	NPC290451
0.7923	Intermediate Similarity	NPC127389
0.7919	Intermediate Similarity	NPC329837
0.7917	Intermediate Similarity	NPC147390
0.7917	Intermediate Similarity	NPC135538
0.7917	Intermediate Similarity	NPC428
0.7917	Intermediate Similarity	NPC246587
0.7917	Intermediate Similarity	NPC476571
0.7917	Intermediate Similarity	NPC24233
0.7914	Intermediate Similarity	NPC231572
0.7907	Intermediate Similarity	NPC474565
0.7903	Intermediate Similarity	NPC55300
0.7899	Intermediate Similarity	NPC12714
0.7899	Intermediate Similarity	NPC131204
0.7899	Intermediate Similarity	NPC301050
0.7899	Intermediate Similarity	NPC310905
0.7886	Intermediate Similarity	NPC7097
0.7886	Intermediate Similarity	NPC36108
0.7886	Intermediate Similarity	NPC246358
0.7886	Intermediate Similarity	NPC233731
0.7879	Intermediate Similarity	NPC293701
0.7879	Intermediate Similarity	NPC48990
0.7879	Intermediate Similarity	NPC94276
0.7879	Intermediate Similarity	NPC109822
0.7879	Intermediate Similarity	NPC114901
0.7872	Intermediate Similarity	NPC475698
0.7869	Intermediate Similarity	NPC142297
0.7863	Intermediate Similarity	NPC71090

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC301713 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	118
0.1-0.2	701
0.2-0.3	923
0.3-0.4	1915
0.4-0.5	2530
0.5-0.6	1765
0.6-0.7	907
0.7-0.8	273
0.8-0.85	23
0.85-0.9	6
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8984	High Similarity	NPD2674	Phase 3
0.876	High Similarity	NPD3144	Approved
0.876	High Similarity	NPD3145	Approved
0.8651	High Similarity	NPD1669	Approved
0.8605	High Similarity	NPD5752	Clinical (unspecified phase)
0.8603	High Similarity	NPD6331	Phase 2
0.8473	Intermediate Similarity	NPD5718	Phase 2
0.8467	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.8444	Intermediate Similarity	NPD2161	Phase 2
0.8438	Intermediate Similarity	NPD2922	Phase 1
0.8357	Intermediate Similarity	NPD4123	Phase 3
0.8321	Intermediate Similarity	NPD7153	Discontinued
0.8261	Intermediate Similarity	NPD3060	Approved
0.8211	Intermediate Similarity	NPD5283	Phase 1
0.8162	Intermediate Similarity	NPD6896	Approved
0.8162	Intermediate Similarity	NPD6895	Approved
0.8143	Intermediate Similarity	NPD5241	Discontinued
0.8129	Intermediate Similarity	NPD4162	Approved
0.8077	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.8069	Intermediate Similarity	NPD4675	Approved
0.8069	Intermediate Similarity	NPD4678	Approved
0.806	Intermediate Similarity	NPD5110	Phase 2
0.806	Intermediate Similarity	NPD5111	Phase 2
0.806	Intermediate Similarity	NPD5109	Approved
0.8049	Intermediate Similarity	NPD228	Approved
0.8047	Intermediate Similarity	NPD2668	Approved
0.8047	Intermediate Similarity	NPD2667	Approved
0.8042	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD4005	Discontinued
0.7986	Intermediate Similarity	NPD1375	Discontinued
0.7985	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7972	Intermediate Similarity	NPD4739	Approved
0.7971	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7971	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7959	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7929	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD5177	Phase 3
0.7863	Intermediate Similarity	NPD2232	Approved
0.7863	Intermediate Similarity	NPD2233	Approved
0.7863	Intermediate Similarity	NPD2230	Approved
0.7852	Intermediate Similarity	NPD1024	Discontinued
0.781	Intermediate Similarity	NPD1558	Phase 1
0.7793	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7793	Intermediate Similarity	NPD7526	Approved
0.7793	Intermediate Similarity	NPD52	Approved
0.7785	Intermediate Similarity	NPD5772	Approved
0.7785	Intermediate Similarity	NPD5773	Approved
0.7761	Intermediate Similarity	NPD6584	Phase 3
0.7748	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD4055	Discovery
0.7746	Intermediate Similarity	NPD4236	Phase 3
0.7746	Intermediate Similarity	NPD4237	Approved
0.7737	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7737	Intermediate Similarity	NPD840	Approved
0.7737	Intermediate Similarity	NPD839	Approved
0.7737	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD2337	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD4083	Discontinued
0.7714	Intermediate Similarity	NPD4108	Discontinued
0.7708	Intermediate Similarity	NPD7124	Phase 2
0.7698	Intermediate Similarity	NPD2653	Approved
0.7687	Intermediate Similarity	NPD3055	Approved
0.7687	Intermediate Similarity	NPD3053	Approved
0.7681	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1044	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD5536	Phase 2
0.7669	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7656	Intermediate Similarity	NPD709	Approved
0.7655	Intermediate Similarity	NPD4357	Discontinued
0.7647	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD7905	Discontinued
0.7619	Intermediate Similarity	NPD2122	Discontinued
0.7612	Intermediate Similarity	NPD5311	Approved
0.7612	Intermediate Similarity	NPD5310	Approved
0.7609	Intermediate Similarity	NPD7477	Discontinued
0.7603	Intermediate Similarity	NPD4584	Approved
0.7603	Intermediate Similarity	NPD1771	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD2231	Phase 2
0.7594	Intermediate Similarity	NPD2235	Phase 2
0.7591	Intermediate Similarity	NPD3027	Phase 3
0.7586	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD1712	Approved
0.7574	Intermediate Similarity	NPD4993	Discontinued
0.7571	Intermediate Similarity	NPD2157	Approved
0.7559	Intermediate Similarity	NPD9377	Approved
0.7559	Intermediate Similarity	NPD821	Approved
0.7559	Intermediate Similarity	NPD9379	Approved
0.7554	Intermediate Similarity	NPD2238	Phase 2
0.7552	Intermediate Similarity	NPD2808	Discontinued
0.755	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD2977	Approved
0.755	Intermediate Similarity	NPD2978	Approved
0.7537	Intermediate Similarity	NPD6582	Phase 2
0.7537	Intermediate Similarity	NPD6583	Phase 3
0.7517	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD2219	Phase 1
0.7516	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD5604	Discontinued
0.75	Intermediate Similarity	NPD6031	Approved
0.75	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6030	Approved
0.7482	Intermediate Similarity	NPD3532	Approved
0.7482	Intermediate Similarity	NPD3530	Approved
0.7482	Intermediate Similarity	NPD3531	Approved
0.7462	Intermediate Similarity	NPD3596	Phase 2
0.745	Intermediate Similarity	NPD2883	Discontinued
0.745	Intermediate Similarity	NPD3686	Approved
0.745	Intermediate Similarity	NPD3687	Approved
0.7447	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD3655	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD1357	Approved
0.7417	Intermediate Similarity	NPD5089	Approved
0.7417	Intermediate Similarity	NPD5090	Approved
0.741	Intermediate Similarity	NPD1039	Discontinued
0.7407	Intermediate Similarity	NPD2983	Phase 2
0.7407	Intermediate Similarity	NPD2982	Phase 2
0.7403	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD7833	Phase 2
0.7403	Intermediate Similarity	NPD7831	Phase 2
0.74	Intermediate Similarity	NPD4017	Approved
0.7397	Intermediate Similarity	NPD3692	Discontinued
0.7394	Intermediate Similarity	NPD6111	Discontinued
0.7381	Intermediate Similarity	NPD2684	Approved
0.7372	Intermediate Similarity	NPD2821	Approved
0.7368	Intermediate Similarity	NPD5720	Discontinued
0.7365	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD2234	Approved
0.7364	Intermediate Similarity	NPD2229	Approved
0.7364	Intermediate Similarity	NPD2228	Approved
0.7361	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD3656	Approved
0.7353	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD3296	Phase 1
0.7348	Intermediate Similarity	NPD6581	Approved
0.7348	Intermediate Similarity	NPD6580	Approved
0.7348	Intermediate Similarity	NPD2486	Discontinued
0.7333	Intermediate Similarity	NPD2981	Phase 2
0.7324	Intermediate Similarity	NPD3054	Approved
0.7324	Intermediate Similarity	NPD2492	Phase 1
0.7324	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD3052	Approved
0.7323	Intermediate Similarity	NPD3021	Approved
0.7323	Intermediate Similarity	NPD3022	Approved
0.7319	Intermediate Similarity	NPD3018	Phase 2
0.7315	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD3062	Approved
0.7305	Intermediate Similarity	NPD3061	Approved
0.7305	Intermediate Similarity	NPD3059	Approved
0.7303	Intermediate Similarity	NPD7110	Phase 1
0.7303	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD4093	Discontinued
0.7293	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD3685	Discontinued
0.7279	Intermediate Similarity	NPD2429	Approved
0.7279	Intermediate Similarity	NPD4129	Approved
0.7279	Intermediate Similarity	NPD2428	Approved
0.7273	Intermediate Similarity	NPD2560	Approved
0.7273	Intermediate Similarity	NPD2563	Approved
0.7266	Intermediate Similarity	NPD596	Approved
0.7266	Intermediate Similarity	NPD600	Approved
0.726	Intermediate Similarity	NPD2458	Approved
0.726	Intermediate Similarity	NPD2459	Approved
0.726	Intermediate Similarity	NPD2460	Phase 3
0.7252	Intermediate Similarity	NPD2557	Approved
0.7239	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD2556	Approved
0.7239	Intermediate Similarity	NPD9381	Approved
0.7239	Intermediate Similarity	NPD9384	Approved
0.7239	Intermediate Similarity	NPD2554	Approved
0.7237	Intermediate Similarity	NPD6876	Approved
0.7237	Intermediate Similarity	NPD6875	Approved
0.7215	Intermediate Similarity	NPD4606	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD4097	Suspended
0.7203	Intermediate Similarity	NPD5314	Approved
0.72	Intermediate Similarity	NPD1350	Approved
0.72	Intermediate Similarity	NPD1349	Approved
0.72	Intermediate Similarity	NPD1351	Approved
0.719	Intermediate Similarity	NPD4772	Phase 2
0.719	Intermediate Similarity	NPD6072	Discontinued
0.719	Intermediate Similarity	NPD6386	Approved
0.719	Intermediate Similarity	NPD4773	Phase 2
0.719	Intermediate Similarity	NPD6873	Phase 2
0.719	Intermediate Similarity	NPD6385	Approved
0.7188	Intermediate Similarity	NPD1792	Phase 2
0.7188	Intermediate Similarity	NPD5451	Approved
0.7185	Intermediate Similarity	NPD3294	Phase 2
0.7185	Intermediate Similarity	NPD3847	Discontinued
0.7183	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD3109	Approved
0.7183	Intermediate Similarity	NPD3620	Phase 2
0.7183	Intermediate Similarity	NPD3110	Approved
0.7176	Intermediate Similarity	NPD593	Approved
0.7176	Intermediate Similarity	NPD595	Approved

Structure

CID301713 OpenBabel06191716112D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 3 0 0 0 19 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	1376042
ChEMBL	CHEMBL252000
ZINC

Physicochemical Properties

Molecular Weight:	311.15
ALogP:	0.2189
MLogP:	3.11
XLogP:	5.857
# Rotatable Bonds:	10
Polar Surface Area:	51.05
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	23

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