NPASS Natural Product

Natural Product: NPC94842

Natural Product ID:	NPC94842
Common Name:	Marcanine D
IUPAC Name:	6-hydroxy-3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
Synonyms:	Marcanine D
Molecular Formula:	C15H11NO5
Standard InCHIKey:	XVTLWESXXLCLIK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H11NO5/c1-6-9-11(16-15(20)14(6)21-2)12(18)7-4-3-5-8(17)10(7)13(9)19/h3-5,17H,1-2H3,(H,16,20)
Canonical SMILES:	COc1c(O)nc2c(c1C)C(=O)c1c(C2=O)cccc1O
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
NPO27762	Goniothalamus marcanii	Species	Annonaceae	Eukaryota	Stem barks			PMID[10543899]
NPO768	Goniothalamus sp.	Species	Annonaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
ED50	5

Activity Type	# Activity
Cell Line	4
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	ED50	=	0.04	nM	10543899
NPT139	Cell Line	HT-29	Homo sapiens	ED50	=	0.35	nM	10543899
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	0.08	nM	10543899
NPT2	Others	Unspecified		ED50	=	0.08	nM	10543899
NPT380	Cell Line	U-251	Homo sapiens	ED50	=	0.28	nM	10543899

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 NPC94842 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	355
0.1-0.2	1775
0.2-0.3	7076
0.3-0.4	5308
0.4-0.5	7013
0.5-0.6	8224
0.6-0.7	1009
0.7-0.8	126
0.8-0.85	1
0.85-0.9	0
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9545	High Similarity	NPC232225
0.9154	High Similarity	NPC220337
0.8109	Intermediate Similarity	NPC206186
0.7913	Intermediate Similarity	NPC15406
0.784	Intermediate Similarity	NPC304183
0.7839	Intermediate Similarity	NPC478045
0.7793	Intermediate Similarity	NPC210434
0.7743	Intermediate Similarity	NPC24019
0.7672	Intermediate Similarity	NPC210296
0.7642	Intermediate Similarity	NPC22481
0.7637	Intermediate Similarity	NPC77878
0.7636	Intermediate Similarity	NPC146976
0.7617	Intermediate Similarity	NPC107123
0.7591	Intermediate Similarity	NPC236668
0.7586	Intermediate Similarity	NPC166722
0.7578	Intermediate Similarity	NPC288987
0.7563	Intermediate Similarity	NPC183537
0.7554	Intermediate Similarity	NPC41501
0.7544	Intermediate Similarity	NPC246381
0.7543	Intermediate Similarity	NPC189903
0.7543	Intermediate Similarity	NPC182907
0.7541	Intermediate Similarity	NPC132385
0.7532	Intermediate Similarity	NPC90875
0.7522	Intermediate Similarity	NPC233334
0.7521	Intermediate Similarity	NPC475844
0.7511	Intermediate Similarity	NPC278525
0.75	Intermediate Similarity	NPC317572
0.75	Intermediate Similarity	NPC209981
0.75	Intermediate Similarity	NPC108342
0.749	Intermediate Similarity	NPC302807
0.7479	Intermediate Similarity	NPC270515
0.7448	Intermediate Similarity	NPC134637
0.7445	Intermediate Similarity	NPC314633
0.7417	Intermediate Similarity	NPC473188
0.7406	Intermediate Similarity	NPC230403
0.7401	Intermediate Similarity	NPC216612
0.7399	Intermediate Similarity	NPC298449
0.7384	Intermediate Similarity	NPC160100
0.738	Intermediate Similarity	NPC285254
0.7378	Intermediate Similarity	NPC184408
0.7353	Intermediate Similarity	NPC124313
0.7353	Intermediate Similarity	NPC208522
0.7342	Intermediate Similarity	NPC84164
0.7342	Intermediate Similarity	NPC207283
0.733	Intermediate Similarity	NPC67659
0.7321	Intermediate Similarity	NPC2905
0.7317	Intermediate Similarity	NPC215837
0.7317	Intermediate Similarity	NPC282346
0.7316	Intermediate Similarity	NPC274640
0.7315	Intermediate Similarity	NPC280714
0.7313	Intermediate Similarity	NPC469439
0.7308	Intermediate Similarity	NPC208898
0.7306	Intermediate Similarity	NPC129897
0.73	Intermediate Similarity	NPC119134
0.7293	Intermediate Similarity	NPC205372
0.7293	Intermediate Similarity	NPC322482
0.7281	Intermediate Similarity	NPC7560
0.7277	Intermediate Similarity	NPC114468
0.7273	Intermediate Similarity	NPC74575
0.7261	Intermediate Similarity	NPC9729
0.7253	Intermediate Similarity	NPC474701
0.7253	Intermediate Similarity	NPC474688
0.724	Intermediate Similarity	NPC321428
0.7231	Intermediate Similarity	NPC51854
0.7229	Intermediate Similarity	NPC200888
0.7229	Intermediate Similarity	NPC470018
0.7225	Intermediate Similarity	NPC182853
0.7225	Intermediate Similarity	NPC134702
0.7222	Intermediate Similarity	NPC49547
0.722	Intermediate Similarity	NPC470020
0.7206	Intermediate Similarity	NPC185197
0.7205	Intermediate Similarity	NPC76478
0.7202	Intermediate Similarity	NPC67401
0.72	Intermediate Similarity	NPC39500
0.7191	Intermediate Similarity	NPC329631
0.7188	Intermediate Similarity	NPC295479
0.7188	Intermediate Similarity	NPC220241
0.7188	Intermediate Similarity	NPC187501
0.7186	Intermediate Similarity	NPC179287
0.7183	Intermediate Similarity	NPC101312
0.7181	Intermediate Similarity	NPC246658
0.7174	Intermediate Similarity	NPC144452
0.7173	Intermediate Similarity	NPC6786
0.7168	Intermediate Similarity	NPC118228
0.7168	Intermediate Similarity	NPC148391
0.7162	Intermediate Similarity	NPC225279
0.7155	Intermediate Similarity	NPC49672
0.7149	Intermediate Similarity	NPC218388
0.7149	Intermediate Similarity	NPC247803
0.7149	Intermediate Similarity	NPC131885
0.7143	Intermediate Similarity	NPC51388
0.7137	Intermediate Similarity	NPC89549
0.713	Intermediate Similarity	NPC118189
0.7118	Intermediate Similarity	NPC148409
0.7117	Intermediate Similarity	NPC472287
0.7117	Intermediate Similarity	NPC472286
0.7115	Intermediate Similarity	NPC473639
0.7111	Intermediate Similarity	NPC146418
0.7107	Intermediate Similarity	NPC58209
0.7106	Intermediate Similarity	NPC316065
0.7106	Intermediate Similarity	NPC289905
0.7101	Intermediate Similarity	NPC470022
0.709	Intermediate Similarity	NPC165964
0.7089	Intermediate Similarity	NPC34770
0.7087	Intermediate Similarity	NPC150239
0.7087	Intermediate Similarity	NPC174760
0.7085	Intermediate Similarity	NPC222561
0.7085	Intermediate Similarity	NPC308943
0.7085	Intermediate Similarity	NPC212123
0.708	Intermediate Similarity	NPC230683
0.708	Intermediate Similarity	NPC474428
0.7074	Intermediate Similarity	NPC174576
0.7067	Intermediate Similarity	NPC474366
0.7067	Intermediate Similarity	NPC124086
0.7059	Intermediate Similarity	NPC470017
0.7056	Intermediate Similarity	NPC121069
0.7054	Intermediate Similarity	NPC72905
0.7054	Intermediate Similarity	NPC90185
0.7051	Intermediate Similarity	NPC478078
0.7043	Intermediate Similarity	NPC208084
0.7042	Intermediate Similarity	NPC194040
0.7032	Intermediate Similarity	NPC17677
0.7025	Intermediate Similarity	NPC142385
0.7025	Intermediate Similarity	NPC316224
0.7023	Intermediate Similarity	NPC144381
0.702	Intermediate Similarity	NPC203373
0.7004	Intermediate Similarity	NPC38237
0.7	Intermediate Similarity	NPC46561
0.7	Intermediate Similarity	NPC472168
0.6996	Remote Similarity	NPC227824
0.6992	Remote Similarity	NPC137353
0.699	Remote Similarity	NPC470894
0.6983	Remote Similarity	NPC280799
0.6982	Remote Similarity	NPC66815
0.6979	Remote Similarity	NPC13249
0.6979	Remote Similarity	NPC140296
0.6978	Remote Similarity	NPC207873
0.6978	Remote Similarity	NPC100573
0.6974	Remote Similarity	NPC324361
0.6974	Remote Similarity	NPC30749
0.6974	Remote Similarity	NPC474594
0.6964	Remote Similarity	NPC300156
0.6964	Remote Similarity	NPC45190
0.696	Remote Similarity	NPC294375
0.696	Remote Similarity	NPC9894
0.6959	Remote Similarity	NPC280964
0.6959	Remote Similarity	NPC141915
0.6959	Remote Similarity	NPC114335
0.6957	Remote Similarity	NPC293151
0.6953	Remote Similarity	NPC122463
0.6948	Remote Similarity	NPC318068
0.6946	Remote Similarity	NPC253675
0.6943	Remote Similarity	NPC190401
0.6943	Remote Similarity	NPC239763
0.6942	Remote Similarity	NPC148889
0.6933	Remote Similarity	NPC193238
0.6933	Remote Similarity	NPC283117
0.6933	Remote Similarity	NPC474595
0.693	Remote Similarity	NPC308137
0.693	Remote Similarity	NPC310211
0.6929	Remote Similarity	NPC470042
0.6923	Remote Similarity	NPC207239
0.692	Remote Similarity	NPC137929
0.692	Remote Similarity	NPC164374
0.6917	Remote Similarity	NPC473187
0.6916	Remote Similarity	NPC42591
0.6914	Remote Similarity	NPC166712
0.6913	Remote Similarity	NPC3207
0.691	Remote Similarity	NPC253314
0.6904	Remote Similarity	NPC172222
0.6898	Remote Similarity	NPC44354
0.6886	Remote Similarity	NPC218303
0.6886	Remote Similarity	NPC87413
0.6885	Remote Similarity	NPC208364
0.6883	Remote Similarity	NPC169402
0.6883	Remote Similarity	NPC191088
0.6883	Remote Similarity	NPC3214
0.6883	Remote Similarity	NPC303384
0.6883	Remote Similarity	NPC298840
0.6883	Remote Similarity	NPC268393
0.6883	Remote Similarity	NPC13599
0.688	Remote Similarity	NPC118121
0.688	Remote Similarity	NPC120513
0.688	Remote Similarity	NPC472589
0.687	Remote Similarity	NPC116238
0.687	Remote Similarity	NPC55470
0.687	Remote Similarity	NPC176113
0.6867	Remote Similarity	NPC472588
0.6861	Remote Similarity	NPC471489
0.6856	Remote Similarity	NPC305542
0.6856	Remote Similarity	NPC202605
0.6856	Remote Similarity	NPC112206
0.6853	Remote Similarity	NPC258048
0.6853	Remote Similarity	NPC204446
0.6826	Remote Similarity	NPC268223
0.6825	Remote Similarity	NPC194724
0.6822	Remote Similarity	NPC97746
0.682	Remote Similarity	NPC183805
0.6816	Remote Similarity	NPC188400
0.6816	Remote Similarity	NPC291609

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC94842 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	269
0.1-0.2	722
0.2-0.3	1012
0.3-0.4	1643
0.4-0.5	2935
0.5-0.6	2106
0.6-0.7	454
0.7-0.8	20
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
0.7644	Intermediate Similarity	NPD3925	Approved
0.7489	Intermediate Similarity	NPD1483	Discontinued
0.7289	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD3263	Phase 3
0.721	Intermediate Similarity	NPD5022	Discontinued
0.7193	Intermediate Similarity	NPD2899	Discontinued
0.7191	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD5488	Discontinued
0.7149	Intermediate Similarity	NPD7395	Discontinued
0.7149	Intermediate Similarity	NPD4429	Discontinued
0.708	Intermediate Similarity	NPD5866	Approved
0.7048	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD1505	Phase 2
0.7018	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD4667	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD5429	Discontinued
0.7004	Intermediate Similarity	NPD7031	Phase 1
0.7	Intermediate Similarity	NPD1926	Approved
0.7	Intermediate Similarity	NPD3920	Phase 2
0.6983	Remote Similarity	NPD6716	Phase 1
0.6982	Remote Similarity	NPD2779	Approved
0.6975	Remote Similarity	NPD4373	Phase 2
0.696	Remote Similarity	NPD5416	Discontinued
0.6953	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6953	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD2951	Discontinued
0.6942	Remote Similarity	NPD6790	Phase 1
0.692	Remote Similarity	NPD8091	Phase 3
0.6916	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD6376	Discontinued
0.6897	Remote Similarity	NPD6974	Phase 3
0.6849	Remote Similarity	NPD4952	Phase 3
0.6849	Remote Similarity	NPD4898	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD2778	Approved
0.6828	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.682	Remote Similarity	NPD1466	Phase 3
0.682	Remote Similarity	NPD1867	Approved
0.682	Remote Similarity	NPD1467	Approved
0.682	Remote Similarity	NPD6962	Phase 2
0.6815	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD5512	Phase 3
0.6752	Remote Similarity	NPD3258	Approved
0.6751	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD5805	Approved
0.6749	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD4502	Phase 2
0.6738	Remote Similarity	NPD5443	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD3922	Approved
0.6727	Remote Similarity	NPD3923	Approved
0.6727	Remote Similarity	NPD3924	Approved
0.6727	Remote Similarity	NPD3921	Approved
0.6724	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD7180	Phase 3
0.6722	Remote Similarity	NPD3746	Discontinued
0.6713	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD7853	Phase 2
0.6696	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD1166	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD3259	Approved
0.6695	Remote Similarity	NPD4328	Approved
0.668	Remote Similarity	NPD4368	Phase 2
0.668	Remote Similarity	NPD3986	Discontinued
0.6667	Remote Similarity	NPD7708	Approved
0.6667	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD3257	Approved
0.6641	Remote Similarity	NPD7924	Phase 2
0.6641	Remote Similarity	NPD7925	Phase 2
0.6639	Remote Similarity	NPD3006	Discontinued
0.6639	Remote Similarity	NPD7278	Phase 2
0.6639	Remote Similarity	NPD7279	Phase 2
0.6637	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD7922	Phase 1
0.6625	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD5860	Discontinued
0.6601	Remote Similarity	NPD8463	Approved
0.6598	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD1945	Phase 1
0.6594	Remote Similarity	NPD5530	Phase 1
0.6584	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD5640	Discontinued
0.6582	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD1638	Discovery
0.657	Remote Similarity	NPD5479	Discontinued
0.6567	Remote Similarity	NPD7069	Discontinued
0.6564	Remote Similarity	NPD7803	Approved
0.6553	Remote Similarity	NPD8149	Discontinued
0.6552	Remote Similarity	NPD5914	Approved
0.6552	Remote Similarity	NPD3392	Approved
0.655	Remote Similarity	NPD3298	Approved
0.6548	Remote Similarity	NPD5482	Discontinued
0.6538	Remote Similarity	NPD3945	Discontinued
0.6535	Remote Similarity	NPD5532	Phase 2
0.6534	Remote Similarity	NPD3328	Phase 2
0.6532	Remote Similarity	NPD7417	Discontinued
0.6524	Remote Similarity	NPD683	Approved
0.6522	Remote Similarity	NPD3507	Phase 2
0.652	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD2792	Approved
0.6513	Remote Similarity	NPD5850	Phase 3
0.6507	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6504	Remote Similarity	NPD5196	Approved
0.6504	Remote Similarity	NPD5197	Approved
0.6504	Remote Similarity	NPD5194	Approved
0.6498	Remote Similarity	NPD9510	Approved
0.6498	Remote Similarity	NPD6568	Discontinued
0.6498	Remote Similarity	NPD5632	Approved
0.6496	Remote Similarity	NPD5857	Phase 3
0.6494	Remote Similarity	NPD7222	Phase 2
0.6492	Remote Similarity	NPD7886	Phase 2
0.6492	Remote Similarity	NPD7885	Phase 2
0.6492	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6492	Remote Similarity	NPD4561	Discontinued
0.649	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD5506	Approved
0.6485	Remote Similarity	NPD5507	Approved
0.6485	Remote Similarity	NPD4923	Phase 1
0.6481	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD1224	Phase 2
0.6477	Remote Similarity	NPD1225	Phase 2
0.6476	Remote Similarity	NPD6874	Approved
0.6473	Remote Similarity	NPD6531	Approved
0.6473	Remote Similarity	NPD6530	Approved
0.6471	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD3763	Approved
0.6471	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD2916	Discontinued
0.6463	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD6456	Discontinued
0.6457	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD5164	Discontinued
0.6449	Remote Similarity	NPD4885	Approved
0.6444	Remote Similarity	NPD8479	Phase 2
0.6437	Remote Similarity	NPD3250	Phase 1
0.6435	Remote Similarity	NPD5513	Phase 2
0.6434	Remote Similarity	NPD5924	Discontinued
0.6434	Remote Similarity	NPD6199	Discontinued
0.6432	Remote Similarity	NPD2821	Approved
0.6425	Remote Similarity	NPD5256	Discontinued
0.642	Remote Similarity	NPD4845	Discontinued
0.6417	Remote Similarity	NPD3809	Discontinued
0.6417	Remote Similarity	NPD7556	Discontinued
0.6414	Remote Similarity	NPD6495	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD2565	Phase 2
0.6413	Remote Similarity	NPD2564	Approved
0.641	Remote Similarity	NPD2081	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD4467	Phase 2
0.6407	Remote Similarity	NPD4465	Phase 2
0.6407	Remote Similarity	NPD4456	Clinical (unspecified phase)
0.6406	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6406	Remote Similarity	NPD6642	Approved
0.6406	Remote Similarity	NPD6641	Approved
0.6404	Remote Similarity	NPD3297	Approved
0.6403	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD5459	Phase 2
0.6398	Remote Similarity	NPD3243	Approved
0.6396	Remote Similarity	NPD9363	Approved
0.6396	Remote Similarity	NPD9364	Phase 2
0.6395	Remote Similarity	NPD4082	Approved
0.6391	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.639	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD4989	Phase 2
0.6376	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6375	Remote Similarity	NPD7022	Phase 2
0.6375	Remote Similarity	NPD6242	Discontinued
0.6372	Remote Similarity	NPD6590	Discontinued
0.6371	Remote Similarity	NPD7955	Approved
0.6371	Remote Similarity	NPD7956	Approved
0.6367	Remote Similarity	NPD1659	Phase 1
0.6364	Remote Similarity	NPD5817	Discontinued
0.6364	Remote Similarity	NPD2920	Discontinued
0.636	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.636	Remote Similarity	NPD8016	Phase 3
0.6356	Remote Similarity	NPD7225	Discontinued
0.6356	Remote Similarity	NPD3816	Phase 1
0.6356	Remote Similarity	NPD3815	Phase 1
0.6353	Remote Similarity	NPD6475	Phase 2
0.6352	Remote Similarity	NPD7043	Discontinued
0.6352	Remote Similarity	NPD7452	Approved
0.6352	Remote Similarity	NPD7453	Approved
0.6352	Remote Similarity	NPD4596	Phase 1
0.6352	Remote Similarity	NPD7994	Phase 2
0.6348	Remote Similarity	NPD6321	Discontinued
0.6345	Remote Similarity	NPD7048	Phase 3
0.6337	Remote Similarity	NPD1955	Discontinued
0.6336	Remote Similarity	NPD4894	Discontinued
0.6332	Remote Similarity	NPD2177	Approved
0.6332	Remote Similarity	NPD5609	Approved
0.6332	Remote Similarity	NPD8461	Discontinued
0.6332	Remote Similarity	NPD5608	Approved
0.6332	Remote Similarity	NPD7169	Suspended
0.6332	Remote Similarity	NPD2175	Phase 3

Structure

CID94842 OpenBabel06191715432D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.0000 3.0000 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 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 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 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 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 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 1.7321 0.0000 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 -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 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 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 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10062464
ChEMBL	CHEMBL480848
ZINC

Physicochemical Properties

Molecular Weight:	285.06
ALogP:	-0.858
MLogP:	2.45
XLogP:	0.464
# Rotatable Bonds:	5
Polar Surface Area:	96.72
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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