NPASS Natural Product

Natural Product: NPC304183

Natural Product ID:	NPC304183
Common Name:	Asimicilone
IUPAC Name:	7-hydroxy-3,4-dimethoxy-5-methyl-1H-benzo[h]quinolin-2-one
Synonyms:	asimicilone
Molecular Formula:	C16H15NO4
Standard InCHIKey:	DPSWGUJKRHKXKX-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H15NO4/c1-8-7-10-9(5-4-6-11(10)18)13-12(8)14(20-2)15(21-3)16(19)17-13/h4-7,18H,1-3H3,(H,17,19)
Canonical SMILES:	COc1c(OC)c(O)nc2c1c(C)cc1c2cccc1O
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
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	Twigs			PMID[1453182]

Biological Activity

Activity Type	# Activity
ED50	3
Others	1

Activity Type	# Activity
Cell Line	3
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	ED50	=	2.13	ug/ml	22409377
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	7.22	ug/ml	16038541
NPT139	Cell Line	HT-29	Homo sapiens	ED50	=	3.25	ug/ml	16038541
NPT140	Organism	Artemia	Artemia	LC50	=	2.15	ug/ml	18197599

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 NPC304183 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	411
0.1-0.2	1873
0.2-0.3	9361
0.3-0.4	3343
0.4-0.5	8931
0.5-0.6	5587
0.6-0.7	1150
0.7-0.8	221
0.8-0.85	10
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8818	High Similarity	NPC200888
0.8522	High Similarity	NPC148409
0.8418	Intermediate Similarity	NPC66815
0.8404	Intermediate Similarity	NPC42591
0.8333	Intermediate Similarity	NPC114335
0.8333	Intermediate Similarity	NPC141915
0.8333	Intermediate Similarity	NPC280964
0.8309	Intermediate Similarity	NPC118121
0.8241	Intermediate Similarity	NPC164374
0.8241	Intermediate Similarity	NPC137929
0.8116	Intermediate Similarity	NPC204446
0.8031	Intermediate Similarity	NPC66083
0.7971	Intermediate Similarity	NPC235076
0.7963	Intermediate Similarity	NPC473182
0.7962	Intermediate Similarity	NPC122463
0.7961	Intermediate Similarity	NPC112206
0.7961	Intermediate Similarity	NPC203168
0.7961	Intermediate Similarity	NPC202605
0.7951	Intermediate Similarity	NPC219664
0.7937	Intermediate Similarity	NPC194724
0.7923	Intermediate Similarity	NPC474594
0.7895	Intermediate Similarity	NPC283152
0.786	Intermediate Similarity	NPC476997
0.7857	Intermediate Similarity	NPC23614
0.7857	Intermediate Similarity	NPC100079
0.7857	Intermediate Similarity	NPC473822
0.7853	Intermediate Similarity	NPC472168
0.785	Intermediate Similarity	NPC202503
0.7842	Intermediate Similarity	NPC288943
0.784	Intermediate Similarity	NPC94842
0.7824	Intermediate Similarity	NPC476998
0.7824	Intermediate Similarity	NPC476996
0.782	Intermediate Similarity	NPC46451
0.7805	Intermediate Similarity	NPC193777
0.7789	Intermediate Similarity	NPC312872
0.7784	Intermediate Similarity	NPC62069
0.7783	Intermediate Similarity	NPC174049
0.7778	Intermediate Similarity	NPC294244
0.7778	Intermediate Similarity	NPC188420
0.7778	Intermediate Similarity	NPC476994
0.7772	Intermediate Similarity	NPC474798
0.7751	Intermediate Similarity	NPC232225
0.7734	Intermediate Similarity	NPC31930
0.7729	Intermediate Similarity	NPC209769
0.7725	Intermediate Similarity	NPC314552
0.7718	Intermediate Similarity	NPC474595
0.7703	Intermediate Similarity	NPC473180
0.7701	Intermediate Similarity	NPC118511
0.7696	Intermediate Similarity	NPC135887
0.7696	Intermediate Similarity	NPC199277
0.7689	Intermediate Similarity	NPC173080
0.7676	Intermediate Similarity	NPC26850
0.7667	Intermediate Similarity	NPC149471
0.7667	Intermediate Similarity	NPC271215
0.7638	Intermediate Similarity	NPC469390
0.7635	Intermediate Similarity	NPC128823
0.7629	Intermediate Similarity	NPC478032
0.7624	Intermediate Similarity	NPC474188
0.7621	Intermediate Similarity	NPC470930
0.7621	Intermediate Similarity	NPC16452
0.7621	Intermediate Similarity	NPC476581
0.7621	Intermediate Similarity	NPC36229
0.7619	Intermediate Similarity	NPC48353
0.7614	Intermediate Similarity	NPC204385
0.7614	Intermediate Similarity	NPC61350
0.7613	Intermediate Similarity	NPC473183
0.7596	Intermediate Similarity	NPC470931
0.757	Intermediate Similarity	NPC473179
0.7562	Intermediate Similarity	NPC279401
0.7562	Intermediate Similarity	NPC79293
0.7538	Intermediate Similarity	NPC242928
0.7538	Intermediate Similarity	NPC128751
0.7537	Intermediate Similarity	NPC224928
0.7537	Intermediate Similarity	NPC243834
0.7537	Intermediate Similarity	NPC70956
0.7534	Intermediate Similarity	NPC476995
0.7525	Intermediate Similarity	NPC33902
0.7525	Intermediate Similarity	NPC276674
0.7523	Intermediate Similarity	NPC473184
0.7512	Intermediate Similarity	NPC195268
0.7512	Intermediate Similarity	NPC133140
0.75	Intermediate Similarity	NPC469497
0.75	Intermediate Similarity	NPC106833
0.75	Intermediate Similarity	NPC206201
0.7488	Intermediate Similarity	NPC469440
0.7477	Intermediate Similarity	NPC96584
0.7477	Intermediate Similarity	NPC255800
0.7475	Intermediate Similarity	NPC475190
0.7475	Intermediate Similarity	NPC28425
0.7466	Intermediate Similarity	NPC201508
0.7462	Intermediate Similarity	NPC311936
0.745	Intermediate Similarity	NPC320088
0.745	Intermediate Similarity	NPC22928
0.7441	Intermediate Similarity	NPC199667
0.7424	Intermediate Similarity	NPC119579
0.7424	Intermediate Similarity	NPC320394
0.7419	Intermediate Similarity	NPC26872
0.7409	Intermediate Similarity	NPC473185
0.74	Intermediate Similarity	NPC180253
0.74	Intermediate Similarity	NPC219170
0.7393	Intermediate Similarity	NPC473181
0.7389	Intermediate Similarity	NPC78284
0.7379	Intermediate Similarity	NPC4071
0.7379	Intermediate Similarity	NPC476578
0.7379	Intermediate Similarity	NPC476582
0.7374	Intermediate Similarity	NPC215747
0.7374	Intermediate Similarity	NPC192939
0.7371	Intermediate Similarity	NPC296482
0.7371	Intermediate Similarity	NPC251160
0.7371	Intermediate Similarity	NPC53069
0.7371	Intermediate Similarity	NPC202768
0.7368	Intermediate Similarity	NPC15406
0.7366	Intermediate Similarity	NPC153042
0.7363	Intermediate Similarity	NPC246700
0.7357	Intermediate Similarity	NPC217554
0.7356	Intermediate Similarity	NPC475085
0.7356	Intermediate Similarity	NPC291535
0.7356	Intermediate Similarity	NPC475112
0.7353	Intermediate Similarity	NPC131017
0.7349	Intermediate Similarity	NPC470799
0.7349	Intermediate Similarity	NPC8022
0.7343	Intermediate Similarity	NPC234197
0.7336	Intermediate Similarity	NPC162530
0.7336	Intermediate Similarity	NPC478074
0.7336	Intermediate Similarity	NPC284141
0.733	Intermediate Similarity	NPC17677
0.7323	Intermediate Similarity	NPC260118
0.7321	Intermediate Similarity	NPC223427
0.7317	Intermediate Similarity	NPC162653
0.7313	Intermediate Similarity	NPC41501
0.7311	Intermediate Similarity	NPC201697
0.73	Intermediate Similarity	NPC276060
0.7297	Intermediate Similarity	NPC252251
0.729	Intermediate Similarity	NPC96405
0.729	Intermediate Similarity	NPC171409
0.7289	Intermediate Similarity	NPC277351
0.7273	Intermediate Similarity	NPC472068
0.7273	Intermediate Similarity	NPC265383
0.7269	Intermediate Similarity	NPC11408
0.726	Intermediate Similarity	NPC11017
0.7256	Intermediate Similarity	NPC266931
0.7243	Intermediate Similarity	NPC208284
0.7241	Intermediate Similarity	NPC474904
0.7238	Intermediate Similarity	NPC162484
0.7238	Intermediate Similarity	NPC475774
0.7238	Intermediate Similarity	NPC132385
0.7235	Intermediate Similarity	NPC473513
0.7232	Intermediate Similarity	NPC476999
0.7232	Intermediate Similarity	NPC477531
0.723	Intermediate Similarity	NPC469589
0.7227	Intermediate Similarity	NPC280272
0.7217	Intermediate Similarity	NPC160100
0.7216	Intermediate Similarity	NPC44161
0.7215	Intermediate Similarity	NPC132642
0.7205	Intermediate Similarity	NPC475844
0.7196	Intermediate Similarity	NPC11464
0.7195	Intermediate Similarity	NPC205372
0.7188	Intermediate Similarity	NPC209174
0.7188	Intermediate Similarity	NPC177404
0.7179	Intermediate Similarity	NPC302807
0.7179	Intermediate Similarity	NPC473188
0.7178	Intermediate Similarity	NPC314573
0.7177	Intermediate Similarity	NPC477019
0.7172	Intermediate Similarity	NPC285941
0.717	Intermediate Similarity	NPC476106
0.7167	Intermediate Similarity	NPC270515
0.7164	Intermediate Similarity	NPC179704
0.7163	Intermediate Similarity	NPC72211
0.7163	Intermediate Similarity	NPC220337
0.7162	Intermediate Similarity	NPC473449
0.716	Intermediate Similarity	NPC101312
0.715	Intermediate Similarity	NPC185782
0.715	Intermediate Similarity	NPC473053
0.7143	Intermediate Similarity	NPC471489
0.7143	Intermediate Similarity	NPC274640
0.7143	Intermediate Similarity	NPC470586
0.7143	Intermediate Similarity	NPC267423
0.7137	Intermediate Similarity	NPC472067
0.7137	Intermediate Similarity	NPC472066
0.7137	Intermediate Similarity	NPC472031
0.7136	Intermediate Similarity	NPC313189
0.713	Intermediate Similarity	NPC94157
0.713	Intermediate Similarity	NPC26679
0.7115	Intermediate Similarity	NPC267928
0.7108	Intermediate Similarity	NPC110741
0.7106	Intermediate Similarity	NPC77878
0.7101	Intermediate Similarity	NPC29472
0.7097	Intermediate Similarity	NPC469592
0.7097	Intermediate Similarity	NPC471080
0.7092	Intermediate Similarity	NPC477888
0.7089	Intermediate Similarity	NPC472111
0.7073	Intermediate Similarity	NPC296742
0.7073	Intermediate Similarity	NPC112676
0.7072	Intermediate Similarity	NPC210434
0.7067	Intermediate Similarity	NPC70259
0.7065	Intermediate Similarity	NPC190461
0.7059	Intermediate Similarity	NPC225279
0.7059	Intermediate Similarity	NPC86078
0.7056	Intermediate Similarity	NPC135549
0.7056	Intermediate Similarity	NPC252590

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC304183 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	268
0.1-0.2	734
0.2-0.3	1038
0.3-0.4	1407
0.4-0.5	2748
0.5-0.6	2259
0.6-0.7	632
0.7-0.8	75
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
0.7913	Intermediate Similarity	NPD4502	Phase 2
0.7876	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD3920	Phase 2
0.782	Intermediate Similarity	NPD3763	Approved
0.7725	Intermediate Similarity	NPD5164	Discontinued
0.767	Intermediate Similarity	NPD5530	Phase 1
0.7633	Intermediate Similarity	NPD5429	Discontinued
0.7586	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD5939	Approved
0.7571	Intermediate Similarity	NPD5936	Approved
0.7558	Intermediate Similarity	NPD3925	Approved
0.7526	Intermediate Similarity	NPD6159	Phase 2
0.7512	Intermediate Similarity	NPD3923	Approved
0.7512	Intermediate Similarity	NPD3922	Approved
0.7512	Intermediate Similarity	NPD3921	Approved
0.7512	Intermediate Similarity	NPD3924	Approved
0.75	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7464	Intermediate Similarity	NPD7222	Phase 2
0.7438	Intermediate Similarity	NPD6590	Discontinued
0.7399	Intermediate Similarity	NPD6494	Phase 2
0.7383	Intermediate Similarity	NPD5902	Approved
0.7383	Intermediate Similarity	NPD5903	Approved
0.7381	Intermediate Similarity	NPD6290	Phase 2
0.7379	Intermediate Similarity	NPD2175	Phase 3
0.7379	Intermediate Similarity	NPD2176	Approved
0.7379	Intermediate Similarity	NPD2177	Approved
0.7371	Intermediate Similarity	NPD3815	Phase 1
0.7371	Intermediate Similarity	NPD3816	Phase 1
0.7361	Intermediate Similarity	NPD7395	Discontinued
0.7328	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7452	Approved
0.7299	Intermediate Similarity	NPD7453	Approved
0.729	Intermediate Similarity	NPD4927	Discontinued
0.729	Intermediate Similarity	NPD7069	Discontinued
0.7268	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7264	Intermediate Similarity	NPD5658	Approved
0.7251	Intermediate Similarity	NPD3003	Approved
0.7236	Intermediate Similarity	NPD4204	Approved
0.7236	Intermediate Similarity	NPD4203	Approved
0.7233	Intermediate Similarity	NPD5512	Phase 3
0.7229	Intermediate Similarity	NPD5488	Discontinued
0.7222	Intermediate Similarity	NPD1503	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD5930	Phase 3
0.7202	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD7671	Approved
0.7183	Intermediate Similarity	NPD7672	Approved
0.7178	Intermediate Similarity	NPD5256	Discontinued
0.7171	Intermediate Similarity	NPD3963	Phase 1
0.7169	Intermediate Similarity	NPD3875	Discontinued
0.7149	Intermediate Similarity	NPD1856	Discontinued
0.7143	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD3342	Phase 2
0.7067	Intermediate Similarity	NPD6550	Discontinued
0.7059	Intermediate Similarity	NPD8244	Phase 2
0.7048	Intermediate Similarity	NPD3837	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD4033	Approved
0.7042	Intermediate Similarity	NPD4038	Approved
0.7042	Intermediate Similarity	NPD32	Approved
0.7042	Intermediate Similarity	NPD4035	Approved
0.7042	Intermediate Similarity	NPD4034	Approved
0.7042	Intermediate Similarity	NPD4122	Approved
0.7042	Intermediate Similarity	NPD31	Approved
0.7042	Intermediate Similarity	NPD4039	Approved
0.7042	Intermediate Similarity	NPD4037	Approved
0.7042	Intermediate Similarity	NPD4036	Approved
0.7037	Intermediate Similarity	NPD6773	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD6988	Phase 1
0.7032	Intermediate Similarity	NPD5612	Discontinued
0.7018	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD6569	Phase 2
0.7	Intermediate Similarity	NPD2727	Phase 2
0.6995	Remote Similarity	NPD6991	Approved
0.6986	Remote Similarity	NPD3477	Phase 2
0.6986	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD7417	Discontinued
0.6982	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.698	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD6361	Phase 2
0.6968	Remote Similarity	NPD6985	Discontinued
0.6967	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD1768	Approved
0.6958	Remote Similarity	NPD7169	Suspended
0.6951	Remote Similarity	NPD5507	Approved
0.6951	Remote Similarity	NPD5506	Approved
0.6948	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD7558	Phase 2
0.6941	Remote Similarity	NPD5944	Phase 1
0.6941	Remote Similarity	NPD5945	Phase 1
0.6938	Remote Similarity	NPD4418	Discontinued
0.6937	Remote Similarity	NPD7194	Discontinued
0.6927	Remote Similarity	NPD6220	Phase 3
0.6923	Remote Similarity	NPD1685	Approved
0.6923	Remote Similarity	NPD1684	Approved
0.692	Remote Similarity	NPD1954	Phase 1
0.6909	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD7675	Phase 3
0.6903	Remote Similarity	NPD7674	Phase 3
0.6893	Remote Similarity	NPD2383	Phase 1
0.6884	Remote Similarity	NPD4795	Phase 2
0.6884	Remote Similarity	NPD4083	Discontinued
0.6878	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.687	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.686	Remote Similarity	NPD9714	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD3810	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD3842	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD6150	Discontinued
0.6849	Remote Similarity	NPD5416	Discontinued
0.6849	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6844	Remote Similarity	NPD7221	Approved
0.6844	Remote Similarity	NPD7219	Approved
0.6844	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7555	Discontinued
0.6837	Remote Similarity	NPD2920	Discontinued
0.6833	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD6230	Discontinued
0.6812	Remote Similarity	NPD5022	Discontinued
0.681	Remote Similarity	NPD7262	Phase 1
0.6809	Remote Similarity	NPD6716	Phase 1
0.6796	Remote Similarity	NPD2762	Phase 2
0.6795	Remote Similarity	NPD8016	Phase 3
0.6795	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD1229	Phase 2
0.6791	Remote Similarity	NPD6975	Discontinued
0.6789	Remote Similarity	NPD2916	Discontinued
0.6789	Remote Similarity	NPD2739	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD1739	Approved
0.6776	Remote Similarity	NPD1740	Approved
0.6773	Remote Similarity	NPD5066	Phase 2
0.6773	Remote Similarity	NPD4131	Phase 3
0.6773	Remote Similarity	NPD5067	Phase 2
0.677	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD2951	Discontinued
0.6766	Remote Similarity	NPD677	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD4375	Approved
0.6758	Remote Similarity	NPD4437	Phase 3
0.6754	Remote Similarity	NPD3263	Phase 3
0.6754	Remote Similarity	NPD7426	Phase 1
0.6752	Remote Similarity	NPD6750	Phase 2
0.6746	Remote Similarity	NPD2564	Approved
0.6746	Remote Similarity	NPD2565	Phase 2
0.6743	Remote Similarity	NPD1392	Approved
0.6741	Remote Similarity	NPD4429	Discontinued
0.6739	Remote Similarity	NPD7567	Approved
0.6738	Remote Similarity	NPD4454	Phase 2
0.6736	Remote Similarity	NPD9706	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD2882	Phase 1
0.6736	Remote Similarity	NPD6158	Phase 2
0.6733	Remote Similarity	NPD5938	Phase 3
0.6733	Remote Similarity	NPD9690	Approved
0.6731	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.673	Remote Similarity	NPD1038	Approved
0.6728	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD6326	Phase 2
0.6725	Remote Similarity	NPD6327	Phase 1
0.672	Remote Similarity	NPD3525	Discontinued
0.6716	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD6208	Discontinued
0.6712	Remote Similarity	NPD5863	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD112	Approved
0.6701	Remote Similarity	NPD9705	Discontinued
0.6696	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD7418	Discontinued
0.6682	Remote Similarity	NPD4372	Phase 1
0.6682	Remote Similarity	NPD4897	Phase 2
0.6681	Remote Similarity	NPD3746	Discontinued
0.6681	Remote Similarity	NPD6717	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4511	Phase 1
0.6667	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5617	Suspended
0.6667	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6592	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD5905	Phase 1
0.6652	Remote Similarity	NPD7726	Phase 1
0.6652	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.665	Remote Similarity	NPD3386	Phase 2
0.6639	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD6455	Phase 3
0.6636	Remote Similarity	NPD4604	Approved
0.6636	Remote Similarity	NPD5003	Discontinued
0.6636	Remote Similarity	NPD5669	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD4605	Approved
0.6635	Remote Similarity	NPD4889	Approved
0.6635	Remote Similarity	NPD6227	Discontinued
0.6634	Remote Similarity	NPD7479	Phase 2
0.6623	Remote Similarity	NPD6736	Discontinued
0.6622	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.662	Remote Similarity	NPD3324	Clinical (unspecified phase)

Structure

NPC304183 OpenBabel07101718332D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 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 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 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 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 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 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 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 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10356576
ChEMBL	CHEMBL477741
ZINC

Physicochemical Properties

Molecular Weight:	285.10
ALogP:	-0.3822
MLogP:	2.67
XLogP:	1.858
# Rotatable Bonds:	7
Polar Surface Area:	71.81
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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