NPASS Natural Product

Natural Product: NPC79356

Natural Product ID:	NPC79356
Common Name:	Stellarines B
IUPAC Name:	methyl (Z)-3-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate
Synonyms:	Stellarines B
Molecular Formula:	C18H15N3O4
Standard InCHIKey:	UJECFLWSXCNVMR-FPLPWBNLSA-N
Standard InCHI:	InChI=1S/C18H15N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-9,20H,1-2H3,(H,19,24)/b8-7-
Canonical SMILES:	COC(=O)/C=CNC(=O)c1nc(C(=O)C)c2c(c1)c1ccccc1[nH]2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO11597.1	Stellaria dichotoma var. lanceolata	Under-species	Caryophyllaceae	Eukaryota	roots	PMID[21090796]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota		TCM_Taiwan*
NPO11597.1	Stellaria dichotoma var. lanceolata	Under-species	Caryophyllaceae	Eukaryota	Root	PMID[21090796]
NPO11597.1	Stellaria dichotoma var. lanceolata	Under-species	Caryophyllaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	18600	nM	21090796

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 NPC79356 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	293
0.1-0.2	2537
0.2-0.3	10251
0.3-0.4	12772
0.4-0.5	2208
0.5-0.6	1315
0.6-0.7	1172
0.7-0.8	310
0.8-0.85	23
0.85-0.9	5
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC102592
0.9157	High Similarity	NPC324091
0.9075	High Similarity	NPC151635
0.8808	High Similarity	NPC477979
0.8722	High Similarity	NPC133003
0.8677	High Similarity	NPC317701
0.8659	High Similarity	NPC191415
0.8534	High Similarity	NPC132539
0.8427	Intermediate Similarity	NPC252572
0.8407	Intermediate Similarity	NPC102755
0.84	Intermediate Similarity	NPC323969
0.8396	Intermediate Similarity	NPC326422
0.8308	Intermediate Similarity	NPC266249
0.8289	Intermediate Similarity	NPC476460
0.8261	Intermediate Similarity	NPC477003
0.8223	Intermediate Similarity	NPC123839
0.8211	Intermediate Similarity	NPC472293
0.82	Intermediate Similarity	NPC322064
0.8187	Intermediate Similarity	NPC471944
0.8146	Intermediate Similarity	NPC115232
0.8141	Intermediate Similarity	NPC118940
0.8105	Intermediate Similarity	NPC472210
0.8105	Intermediate Similarity	NPC472295
0.8105	Intermediate Similarity	NPC247735
0.8105	Intermediate Similarity	NPC81802
0.8105	Intermediate Similarity	NPC269886
0.8087	Intermediate Similarity	NPC284775
0.8083	Intermediate Similarity	NPC237414
0.8083	Intermediate Similarity	NPC472296
0.8083	Intermediate Similarity	NPC472297
0.8053	Intermediate Similarity	NPC472292
0.7979	Intermediate Similarity	NPC167710
0.7979	Intermediate Similarity	NPC141612
0.7979	Intermediate Similarity	NPC141454
0.7979	Intermediate Similarity	NPC17273
0.7979	Intermediate Similarity	NPC135601
0.7969	Intermediate Similarity	NPC220151
0.7969	Intermediate Similarity	NPC19692
0.7968	Intermediate Similarity	NPC21429
0.7923	Intermediate Similarity	NPC229893
0.7923	Intermediate Similarity	NPC161861
0.7921	Intermediate Similarity	NPC89508
0.7919	Intermediate Similarity	NPC165599
0.7914	Intermediate Similarity	NPC470205
0.7912	Intermediate Similarity	NPC471943
0.7903	Intermediate Similarity	NPC469896
0.7901	Intermediate Similarity	NPC470509
0.7895	Intermediate Similarity	NPC102338
0.7895	Intermediate Similarity	NPC63199
0.7895	Intermediate Similarity	NPC111602
0.7895	Intermediate Similarity	NPC196251
0.7892	Intermediate Similarity	NPC312645
0.7824	Intermediate Similarity	NPC304203
0.7812	Intermediate Similarity	NPC138370
0.78	Intermediate Similarity	NPC244741
0.779	Intermediate Similarity	NPC271797
0.779	Intermediate Similarity	NPC21174
0.7761	Intermediate Similarity	NPC116555
0.7754	Intermediate Similarity	NPC219336
0.7735	Intermediate Similarity	NPC214106
0.7716	Intermediate Similarity	NPC81535
0.7716	Intermediate Similarity	NPC477004
0.7713	Intermediate Similarity	NPC88110
0.7701	Intermediate Similarity	NPC183662
0.7701	Intermediate Similarity	NPC217372
0.7701	Intermediate Similarity	NPC15573
0.7696	Intermediate Similarity	NPC62749
0.7667	Intermediate Similarity	NPC122436
0.7659	Intermediate Similarity	NPC234078
0.7659	Intermediate Similarity	NPC221100
0.7657	Intermediate Similarity	NPC470440
0.7653	Intermediate Similarity	NPC472116
0.765	Intermediate Similarity	NPC42372
0.7633	Intermediate Similarity	NPC27041
0.7619	Intermediate Similarity	NPC73994
0.7617	Intermediate Similarity	NPC473666
0.7617	Intermediate Similarity	NPC260434
0.7604	Intermediate Similarity	NPC160381
0.7602	Intermediate Similarity	NPC202812
0.7596	Intermediate Similarity	NPC8104
0.7594	Intermediate Similarity	NPC293216
0.7588	Intermediate Similarity	NPC128265
0.7588	Intermediate Similarity	NPC254240
0.7588	Intermediate Similarity	NPC312870
0.7588	Intermediate Similarity	NPC199851
0.7588	Intermediate Similarity	NPC294909
0.7585	Intermediate Similarity	NPC36405
0.7569	Intermediate Similarity	NPC76982
0.7563	Intermediate Similarity	NPC245916
0.7539	Intermediate Similarity	NPC117027
0.7529	Intermediate Similarity	NPC115611
0.7523	Intermediate Similarity	NPC235685
0.7512	Intermediate Similarity	NPC182222
0.7512	Intermediate Similarity	NPC57398
0.75	Intermediate Similarity	NPC55493
0.75	Intermediate Similarity	NPC216550
0.75	Intermediate Similarity	NPC469529
0.7489	Intermediate Similarity	NPC101350
0.7488	Intermediate Similarity	NPC472291
0.7487	Intermediate Similarity	NPC472112
0.7487	Intermediate Similarity	NPC67288
0.7487	Intermediate Similarity	NPC474916
0.7475	Intermediate Similarity	NPC128244
0.7474	Intermediate Similarity	NPC11126
0.7461	Intermediate Similarity	NPC99939
0.7461	Intermediate Similarity	NPC308931
0.7459	Intermediate Similarity	NPC233380
0.7451	Intermediate Similarity	NPC270918
0.7436	Intermediate Similarity	NPC175474
0.7435	Intermediate Similarity	NPC91179
0.7432	Intermediate Similarity	NPC474492
0.743	Intermediate Similarity	NPC321911
0.7421	Intermediate Similarity	NPC83774
0.7419	Intermediate Similarity	NPC114637
0.7419	Intermediate Similarity	NPC56233
0.7413	Intermediate Similarity	NPC214428
0.7411	Intermediate Similarity	NPC272458
0.7409	Intermediate Similarity	NPC228835
0.7403	Intermediate Similarity	NPC281094
0.7402	Intermediate Similarity	NPC277350
0.7396	Intermediate Similarity	NPC470677
0.7391	Intermediate Similarity	NPC100104
0.7391	Intermediate Similarity	NPC470680
0.7385	Intermediate Similarity	NPC278434
0.7381	Intermediate Similarity	NPC267811
0.7374	Intermediate Similarity	NPC469811
0.7374	Intermediate Similarity	NPC201380
0.7374	Intermediate Similarity	NPC179787
0.7371	Intermediate Similarity	NPC280290
0.7363	Intermediate Similarity	NPC74413
0.7347	Intermediate Similarity	NPC221873
0.7344	Intermediate Similarity	NPC61011
0.7342	Intermediate Similarity	NPC148889
0.7333	Intermediate Similarity	NPC235684
0.733	Intermediate Similarity	NPC14113
0.733	Intermediate Similarity	NPC28848
0.733	Intermediate Similarity	NPC84827
0.733	Intermediate Similarity	NPC14325
0.733	Intermediate Similarity	NPC145885
0.7323	Intermediate Similarity	NPC472113
0.732	Intermediate Similarity	NPC46895
0.7318	Intermediate Similarity	NPC478186
0.7318	Intermediate Similarity	NPC63545
0.7318	Intermediate Similarity	NPC57453
0.7317	Intermediate Similarity	NPC82053
0.7317	Intermediate Similarity	NPC238457
0.7312	Intermediate Similarity	NPC478184
0.7312	Intermediate Similarity	NPC478182
0.731	Intermediate Similarity	NPC329858
0.731	Intermediate Similarity	NPC154339
0.731	Intermediate Similarity	NPC314333
0.7308	Intermediate Similarity	NPC325903
0.7308	Intermediate Similarity	NPC82370
0.7308	Intermediate Similarity	NPC251391
0.7299	Intermediate Similarity	NPC325252
0.7295	Intermediate Similarity	NPC478158
0.7292	Intermediate Similarity	NPC55772
0.7292	Intermediate Similarity	NPC283219
0.7292	Intermediate Similarity	NPC248041
0.7292	Intermediate Similarity	NPC126709
0.7287	Intermediate Similarity	NPC70949
0.7286	Intermediate Similarity	NPC267343
0.7282	Intermediate Similarity	NPC243850
0.7282	Intermediate Similarity	NPC282103
0.7277	Intermediate Similarity	NPC267885
0.7273	Intermediate Similarity	NPC471193
0.7273	Intermediate Similarity	NPC471194
0.7264	Intermediate Similarity	NPC281049
0.726	Intermediate Similarity	NPC207686
0.7258	Intermediate Similarity	NPC242116
0.7255	Intermediate Similarity	NPC260900
0.7249	Intermediate Similarity	NPC65080
0.7245	Intermediate Similarity	NPC311858
0.7245	Intermediate Similarity	NPC94752
0.7243	Intermediate Similarity	NPC293487
0.7241	Intermediate Similarity	NPC198988
0.724	Intermediate Similarity	NPC157583
0.7236	Intermediate Similarity	NPC47190
0.7235	Intermediate Similarity	NPC157931
0.7235	Intermediate Similarity	NPC257851
0.7233	Intermediate Similarity	NPC313796
0.7233	Intermediate Similarity	NPC314855
0.7233	Intermediate Similarity	NPC472064
0.7233	Intermediate Similarity	NPC313345
0.7233	Intermediate Similarity	NPC315638
0.7228	Intermediate Similarity	NPC52557
0.7225	Intermediate Similarity	NPC203468
0.7225	Intermediate Similarity	NPC149155
0.7225	Intermediate Similarity	NPC110500
0.7219	Intermediate Similarity	NPC265100
0.7212	Intermediate Similarity	NPC472070
0.7211	Intermediate Similarity	NPC6982
0.7208	Intermediate Similarity	NPC17059
0.7202	Intermediate Similarity	NPC66777
0.7202	Intermediate Similarity	NPC233050
0.7202	Intermediate Similarity	NPC471762
0.7202	Intermediate Similarity	NPC12649
0.7202	Intermediate Similarity	NPC194740
0.7202	Intermediate Similarity	NPC276540
0.7198	Intermediate Similarity	NPC315545

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC79356 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	182
0.1-0.2	617
0.2-0.3	1066
0.3-0.4	1771
0.4-0.5	2362
0.5-0.6	2143
0.6-0.7	888
0.7-0.8	132
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7919	Intermediate Similarity	NPD6176	Phase 1
0.7789	Intermediate Similarity	NPD6288	Clinical (unspecified phase)
0.7761	Intermediate Similarity	NPD2509	Approved
0.7761	Intermediate Similarity	NPD2510	Approved
0.7739	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD3318	Approved
0.7725	Intermediate Similarity	NPD3320	Approved
0.7725	Intermediate Similarity	NPD3319	Phase 1
0.7673	Intermediate Similarity	NPD2442	Approved
0.7673	Intermediate Similarity	NPD2443	Approved
0.767	Intermediate Similarity	NPD3393	Approved
0.767	Intermediate Similarity	NPD3389	Approved
0.767	Intermediate Similarity	NPD3394	Approved
0.7662	Intermediate Similarity	NPD2008	Discontinued
0.7604	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7592	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD4500	Approved
0.7588	Intermediate Similarity	NPD4501	Approved
0.7554	Intermediate Similarity	NPD2915	Discontinued
0.7526	Intermediate Similarity	NPD5473	Discontinued
0.7524	Intermediate Similarity	NPD2411	Approved
0.75	Intermediate Similarity	NPD4922	Phase 2
0.7487	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD4848	Phase 1
0.7463	Intermediate Similarity	NPD2408	Discontinued
0.7438	Intermediate Similarity	NPD3947	Discontinued
0.7424	Intermediate Similarity	NPD7618	Phase 3
0.7424	Intermediate Similarity	NPD7619	Phase 3
0.7393	Intermediate Similarity	NPD5198	Approved
0.7393	Intermediate Similarity	NPD5199	Approved
0.7379	Intermediate Similarity	NPD4506	Discontinued
0.7376	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD7727	Phase 2
0.7363	Intermediate Similarity	NPD6248	Phase 2
0.7363	Intermediate Similarity	NPD6249	Phase 2
0.736	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD1291	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD6263	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD2213	Approved
0.7337	Intermediate Similarity	NPD2214	Approved
0.7333	Intermediate Similarity	NPD5809	Phase 3
0.7327	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD6770	Approved
0.731	Intermediate Similarity	NPD4499	Approved
0.7295	Intermediate Similarity	NPD1600	Suspended
0.7291	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.7291	Intermediate Similarity	NPD5017	Discontinued
0.7286	Intermediate Similarity	NPD460	Discontinued
0.7282	Intermediate Similarity	NPD1506	Discontinued
0.7277	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD5104	Approved
0.7273	Intermediate Similarity	NPD1658	Discontinued
0.7273	Intermediate Similarity	NPD7455	Approved
0.7273	Intermediate Similarity	NPD7454	Approved
0.7264	Intermediate Similarity	NPD2880	Discontinued
0.7259	Intermediate Similarity	NPD4334	Discontinued
0.7254	Intermediate Similarity	NPD2481	Approved
0.7254	Intermediate Similarity	NPD2479	Phase 3
0.7245	Intermediate Similarity	NPD5444	Phase 1
0.7243	Intermediate Similarity	NPD1630	Approved
0.7236	Intermediate Similarity	NPD1896	Approved
0.7231	Intermediate Similarity	NPD7564	Discontinued
0.7225	Intermediate Similarity	NPD482	Approved
0.7209	Intermediate Similarity	NPD5001	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD7817	Phase 1
0.7196	Intermediate Similarity	NPD1996	Discontinued
0.7193	Intermediate Similarity	NPD5482	Discontinued
0.719	Intermediate Similarity	NPD6657	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4385	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD8115	Approved
0.7184	Intermediate Similarity	NPD5901	Discontinued
0.7184	Intermediate Similarity	NPD8114	Approved
0.7179	Intermediate Similarity	NPD2095	Phase 2
0.7179	Intermediate Similarity	NPD2094	Phase 2
0.7179	Intermediate Similarity	NPD2092	Phase 2
0.7177	Intermediate Similarity	NPD4051	Discontinued
0.7173	Intermediate Similarity	NPD4524	Discontinued
0.7157	Intermediate Similarity	NPD5820	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4601	Approved
0.7157	Intermediate Similarity	NPD4600	Approved
0.7156	Intermediate Similarity	NPD6787	Phase 2
0.7143	Intermediate Similarity	NPD2096	Phase 2
0.7143	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4614	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7470	Discontinued
0.7143	Intermediate Similarity	NPD2091	Phase 2
0.7143	Intermediate Similarity	NPD5475	Discontinued
0.7136	Intermediate Similarity	NPD5487	Phase 1
0.7129	Intermediate Similarity	NPD1871	Approved
0.7128	Intermediate Similarity	NPD1631	Approved
0.7123	Intermediate Similarity	NPD3757	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD4988	Discontinued
0.7115	Intermediate Similarity	NPD3905	Phase 3
0.7113	Intermediate Similarity	NPD2590	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD3079	Approved
0.7113	Intermediate Similarity	NPD3078	Approved
0.7113	Intermediate Similarity	NPD3077	Approved
0.7113	Intermediate Similarity	NPD3076	Approved
0.711	Intermediate Similarity	NPD5887	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD7657	Approved
0.7109	Intermediate Similarity	NPD7656	Approved
0.7108	Intermediate Similarity	NPD3800	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD5075	Discontinued
0.7104	Intermediate Similarity	NPD4463	Approved
0.7104	Intermediate Similarity	NPD4462	Approved
0.71	Intermediate Similarity	NPD3785	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6173	Approved
0.7094	Intermediate Similarity	NPD6664	Approved
0.7094	Intermediate Similarity	NPD1952	Discontinued
0.7087	Intermediate Similarity	NPD2879	Approved
0.7087	Intermediate Similarity	NPD2881	Approved
0.7074	Intermediate Similarity	NPD4558	Phase 2
0.7067	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD4315	Phase 2
0.7053	Intermediate Similarity	NPD4643	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD4736	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD1851	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD5293	Phase 2
0.7041	Intermediate Similarity	NPD4011	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD4948	Discontinued
0.703	Intermediate Similarity	NPD4348	Clinical (unspecified phase)
0.7028	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD1292	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD2336	Approved
0.701	Intermediate Similarity	NPD6206	Phase 1
0.7005	Intermediate Similarity	NPD4326	Phase 2
0.7	Intermediate Similarity	NPD7994	Phase 2
0.6995	Remote Similarity	NPD3794	Approved
0.6995	Remote Similarity	NPD750	Phase 2
0.6995	Remote Similarity	NPD3795	Approved
0.6986	Remote Similarity	NPD7289	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD1573	Approved
0.6979	Remote Similarity	NPD1575	Approved
0.6976	Remote Similarity	NPD6261	Phase 3
0.6968	Remote Similarity	NPD7888	Approved
0.6968	Remote Similarity	NPD7887	Approved
0.6961	Remote Similarity	NPD6226	Phase 3
0.6961	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD6210	Phase 3
0.6955	Remote Similarity	NPD8289	Discontinued
0.6954	Remote Similarity	NPD3178	Discontinued
0.6952	Remote Similarity	NPD8322	Phase 2
0.6952	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD4952	Phase 3
0.6933	Remote Similarity	NPD7853	Phase 2
0.693	Remote Similarity	NPD4851	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD1343	Approved
0.6923	Remote Similarity	NPD4075	Phase 2
0.6919	Remote Similarity	NPD3835	Phase 3
0.6919	Remote Similarity	NPD6376	Discontinued
0.6919	Remote Similarity	NPD6459	Phase 2
0.6919	Remote Similarity	NPD3833	Phase 3
0.6912	Remote Similarity	NPD4602	Approved
0.6908	Remote Similarity	NPD6479	Discontinued
0.6907	Remote Similarity	NPD3868	Phase 1
0.6906	Remote Similarity	NPD1722	Approved
0.6906	Remote Similarity	NPD5020	Approved
0.6906	Remote Similarity	NPD7688	Phase 1
0.6905	Remote Similarity	NPD3967	Approved
0.6905	Remote Similarity	NPD7010	Phase 3
0.6905	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6902	Remote Similarity	NPD1270	Approved
0.6901	Remote Similarity	NPD4863	Approved
0.6901	Remote Similarity	NPD7070	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD1591	Approved
0.6887	Remote Similarity	NPD7704	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD6178	Phase 3
0.6881	Remote Similarity	NPD6242	Discontinued
0.6878	Remote Similarity	NPD2307	Discontinued
0.6875	Remote Similarity	NPD4885	Approved
0.6872	Remote Similarity	NPD1586	Approved
0.6872	Remote Similarity	NPD6328	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD4883	Approved
0.6869	Remote Similarity	NPD7573	Discontinued
0.6869	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD5632	Approved
0.6866	Remote Similarity	NPD3246	Discontinued
0.6864	Remote Similarity	NPD7661	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD3583	Phase 2
0.6857	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD6987	Phase 1
0.6857	Remote Similarity	NPD5426	Phase 3
0.6854	Remote Similarity	NPD5072	Discontinued
0.6852	Remote Similarity	NPD2412	Clinical (unspecified phase)
0.6851	Remote Similarity	NPD3943	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD5003	Discontinued
0.6844	Remote Similarity	NPD4373	Phase 2
0.6839	Remote Similarity	NPD2844	Phase 3
0.6837	Remote Similarity	NPD5888	Phase 2
0.6837	Remote Similarity	NPD3243	Approved
0.6835	Remote Similarity	NPD7404	Approved

Structure

CID79356 OpenBabel06191715412D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2595 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4203 5.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 4.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 -0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 5.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 2.9162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 0.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6417 5.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2619 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6329 4.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 25 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 11 2 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 23 2 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	53322155
ChEMBL	CHEMBL1651331
ZINC

Physicochemical Properties

Molecular Weight:	337.11
ALogP:	-1.4578
MLogP:	2.67
XLogP:	2.351
# Rotatable Bonds:	8
Polar Surface Area:	101.15
# H-Bond Aceptor:	7
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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