NPASS Natural Product

Natural Product: NPC471728

Natural Product ID:	NPC471728
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C21H28O4
Standard InCHIKey:	KSPJPGGJDQMWRK-IMHVBNMXSA-N
Standard InCHI:	InChI=1S/C21H28O4/c1-12-10-15(22)14-11-13-6-7-16-19(2,3)17(23)8-9-20(16,4)21(13,5)25-18(14)24-12/h10,13,16H,6-9,11H2,1-5H3/t13-,16-,20-,21-/m0/s1
Canonical SMILES:	Cc1cc(=O)c2c(o1)O[C@]1([C@H](C2)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
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
NPO30770	Penicillium sp.	Species	Aspergillaceae	Eukaryota				PMID[24437979]

Biological Activity

Activity Type	# Activity
MIC	10
Others	3

Activity Type	# Activity
Cell Line	2
Organism	10
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT111	Cell Line	K562	Homo sapiens	LC50	=	50000	nM	26151487
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100	ug/ml	8450319
NPT3145	Organism	Bacillus subtilis subsp. spizizenii ATCC 6633	Bacillus subtilis subsp. spizizenii ATCC 6633	MIC	>	100	ug/ml	8450319
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	>	100	ug/ml	8450319
NPT81	Cell Line	A549	Homo sapiens	LC50	=	17000	nM	8450319
NPT329	Organism	Trichophyton rubrum	Trichophyton rubrum	MIC	>	100	ug/ml	9463110
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100	ug/ml	15104480
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	MIC	>	100	ug/ml	9214738
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	100	ug/ml	9214738
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	100	ug/ml	24571273
NPT2	Others	Unspecified		Ratio	=	1.9		24571273
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	>	100	ug/ml	14987066
NPT330	Organism	Trichophyton mentagrophytes	Trichophyton mentagrophytes	MIC	>	100	ug/ml	DrugMatrix in vitro pharmacology data

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 NPC471728 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	155
0.1-0.2	1027
0.2-0.3	3273
0.3-0.4	7645
0.4-0.5	10109
0.5-0.6	4826
0.6-0.7	3530
0.7-0.8	320
0.8-0.85	2
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8804	High Similarity	NPC471727
0.8539	High Similarity	NPC223093
0.8427	Intermediate Similarity	NPC50070
0.8202	Intermediate Similarity	NPC30421
0.7889	Intermediate Similarity	NPC470345
0.7882	Intermediate Similarity	NPC472300
0.7778	Intermediate Similarity	NPC478245
0.7727	Intermediate Similarity	NPC473217
0.7717	Intermediate Similarity	NPC478261
0.7717	Intermediate Similarity	NPC478259
0.7717	Intermediate Similarity	NPC478260
0.7667	Intermediate Similarity	NPC251170
0.764	Intermediate Similarity	NPC476935
0.7629	Intermediate Similarity	NPC473456
0.7614	Intermediate Similarity	NPC476809
0.7604	Intermediate Similarity	NPC274417
0.76	Intermediate Similarity	NPC179208
0.7582	Intermediate Similarity	NPC133652
0.7582	Intermediate Similarity	NPC300985
0.7582	Intermediate Similarity	NPC6185
0.7582	Intermediate Similarity	NPC241512
0.7576	Intermediate Similarity	NPC474912
0.7576	Intermediate Similarity	NPC474899
0.7553	Intermediate Similarity	NPC213636
0.7553	Intermediate Similarity	NPC328141
0.7553	Intermediate Similarity	NPC253177
0.7553	Intermediate Similarity	NPC280592
0.7528	Intermediate Similarity	NPC471898
0.7528	Intermediate Similarity	NPC278459
0.7528	Intermediate Similarity	NPC149237
0.7528	Intermediate Similarity	NPC474085
0.7527	Intermediate Similarity	NPC476427
0.7527	Intermediate Similarity	NPC48107
0.7527	Intermediate Similarity	NPC475101
0.7527	Intermediate Similarity	NPC124927
0.75	Intermediate Similarity	NPC477479
0.75	Intermediate Similarity	NPC269729
0.75	Intermediate Similarity	NPC477478
0.7474	Intermediate Similarity	NPC296114
0.7474	Intermediate Similarity	NPC471329
0.7473	Intermediate Similarity	NPC96095
0.7471	Intermediate Similarity	NPC165711
0.7449	Intermediate Similarity	NPC476768
0.7447	Intermediate Similarity	NPC469546
0.7444	Intermediate Similarity	NPC470813
0.7444	Intermediate Similarity	NPC163236
0.7426	Intermediate Similarity	NPC291154
0.7423	Intermediate Similarity	NPC139570
0.7423	Intermediate Similarity	NPC147232
0.7419	Intermediate Similarity	NPC471792
0.7416	Intermediate Similarity	NPC469637
0.7416	Intermediate Similarity	NPC37038
0.7416	Intermediate Similarity	NPC267517
0.7396	Intermediate Similarity	NPC272075
0.7396	Intermediate Similarity	NPC214756
0.7396	Intermediate Similarity	NPC79117
0.7396	Intermediate Similarity	NPC295643
0.7391	Intermediate Similarity	NPC132228
0.7391	Intermediate Similarity	NPC263997
0.7391	Intermediate Similarity	NPC8518
0.7391	Intermediate Similarity	NPC474680
0.7386	Intermediate Similarity	NPC478247
0.7386	Intermediate Similarity	NPC478246
0.7386	Intermediate Similarity	NPC476808
0.7368	Intermediate Similarity	NPC475823
0.7368	Intermediate Similarity	NPC474209
0.7363	Intermediate Similarity	NPC53733
0.7363	Intermediate Similarity	NPC105803
0.7363	Intermediate Similarity	NPC64600
0.7356	Intermediate Similarity	NPC180886
0.7353	Intermediate Similarity	NPC476001
0.7353	Intermediate Similarity	NPC474898
0.734	Intermediate Similarity	NPC472302
0.734	Intermediate Similarity	NPC328539
0.7333	Intermediate Similarity	NPC226068
0.7333	Intermediate Similarity	NPC472684
0.7333	Intermediate Similarity	NPC44963
0.7333	Intermediate Similarity	NPC55869
0.732	Intermediate Similarity	NPC74751
0.732	Intermediate Similarity	NPC471040
0.732	Intermediate Similarity	NPC160413
0.7312	Intermediate Similarity	NPC470415
0.7312	Intermediate Similarity	NPC73038
0.7303	Intermediate Similarity	NPC192329
0.7303	Intermediate Similarity	NPC476177
0.7303	Intermediate Similarity	NPC231431
0.73	Intermediate Similarity	NPC475202
0.73	Intermediate Similarity	NPC475392
0.73	Intermediate Similarity	NPC475385
0.73	Intermediate Similarity	NPC104861
0.7292	Intermediate Similarity	NPC472975
0.7292	Intermediate Similarity	NPC233455
0.7292	Intermediate Similarity	NPC4036
0.7292	Intermediate Similarity	NPC289479
0.7292	Intermediate Similarity	NPC185936
0.7292	Intermediate Similarity	NPC472978
0.7292	Intermediate Similarity	NPC65120
0.7292	Intermediate Similarity	NPC145067
0.7292	Intermediate Similarity	NPC158030
0.7292	Intermediate Similarity	NPC218301
0.7292	Intermediate Similarity	NPC168027
0.7283	Intermediate Similarity	NPC156981
0.7282	Intermediate Similarity	NPC478052
0.7273	Intermediate Similarity	NPC170131
0.7273	Intermediate Similarity	NPC38530
0.7273	Intermediate Similarity	NPC257666
0.7273	Intermediate Similarity	NPC226986
0.7273	Intermediate Similarity	NPC266193
0.7273	Intermediate Similarity	NPC84335
0.7263	Intermediate Similarity	NPC65615
0.7263	Intermediate Similarity	NPC472973
0.7263	Intermediate Similarity	NPC305039
0.7263	Intermediate Similarity	NPC68148
0.7253	Intermediate Similarity	NPC193347
0.7253	Intermediate Similarity	NPC302661
0.7253	Intermediate Similarity	NPC238991
0.7245	Intermediate Similarity	NPC473170
0.7234	Intermediate Similarity	NPC476409
0.7234	Intermediate Similarity	NPC136948
0.7234	Intermediate Similarity	NPC38885
0.7234	Intermediate Similarity	NPC476932
0.7234	Intermediate Similarity	NPC477228
0.7234	Intermediate Similarity	NPC162107
0.7234	Intermediate Similarity	NPC181327
0.7234	Intermediate Similarity	NPC46912
0.7228	Intermediate Similarity	NPC168319
0.7228	Intermediate Similarity	NPC194028
0.7222	Intermediate Similarity	NPC108955
0.7222	Intermediate Similarity	NPC2482
0.7222	Intermediate Similarity	NPC474956
0.7222	Intermediate Similarity	NPC104545
0.7216	Intermediate Similarity	NPC131840
0.7216	Intermediate Similarity	NPC263780
0.7216	Intermediate Similarity	NPC472303
0.7204	Intermediate Similarity	NPC323765
0.7204	Intermediate Similarity	NPC474537
0.7204	Intermediate Similarity	NPC2709
0.72	Intermediate Similarity	NPC176845
0.7191	Intermediate Similarity	NPC260385
0.7191	Intermediate Similarity	NPC110094
0.7191	Intermediate Similarity	NPC471409
0.7191	Intermediate Similarity	NPC321514
0.7191	Intermediate Similarity	NPC469996
0.7191	Intermediate Similarity	NPC275494
0.7191	Intermediate Similarity	NPC74410
0.7191	Intermediate Similarity	NPC189485
0.7191	Intermediate Similarity	NPC280654
0.7188	Intermediate Similarity	NPC478258
0.7188	Intermediate Similarity	NPC474842
0.7188	Intermediate Similarity	NPC476437
0.7188	Intermediate Similarity	NPC475965
0.7188	Intermediate Similarity	NPC8062
0.7188	Intermediate Similarity	NPC478257
0.7188	Intermediate Similarity	NPC476369
0.7184	Intermediate Similarity	NPC40170
0.7174	Intermediate Similarity	NPC102197
0.7172	Intermediate Similarity	NPC61369
0.7172	Intermediate Similarity	NPC111684
0.7172	Intermediate Similarity	NPC5532
0.7172	Intermediate Similarity	NPC58052
0.7172	Intermediate Similarity	NPC469545
0.7172	Intermediate Similarity	NPC98874
0.7172	Intermediate Similarity	NPC471039
0.7159	Intermediate Similarity	NPC186554
0.7159	Intermediate Similarity	NPC76966
0.7158	Intermediate Similarity	NPC474925
0.7158	Intermediate Similarity	NPC158778
0.7158	Intermediate Similarity	NPC474845
0.7158	Intermediate Similarity	NPC472802
0.7157	Intermediate Similarity	NPC476769
0.7143	Intermediate Similarity	NPC472224
0.7143	Intermediate Similarity	NPC267691
0.7143	Intermediate Similarity	NPC263272
0.7143	Intermediate Similarity	NPC478262
0.7143	Intermediate Similarity	NPC142244
0.7143	Intermediate Similarity	NPC23170
0.7143	Intermediate Similarity	NPC221647
0.7143	Intermediate Similarity	NPC293086
0.7143	Intermediate Similarity	NPC274050
0.7143	Intermediate Similarity	NPC474529
0.7143	Intermediate Similarity	NPC471207
0.7143	Intermediate Similarity	NPC472223
0.7143	Intermediate Similarity	NPC475665
0.7143	Intermediate Similarity	NPC84893
0.7143	Intermediate Similarity	NPC472976
0.7143	Intermediate Similarity	NPC474963
0.7143	Intermediate Similarity	NPC90055
0.7143	Intermediate Similarity	NPC103527
0.7143	Intermediate Similarity	NPC472977
0.7143	Intermediate Similarity	NPC121984
0.7143	Intermediate Similarity	NPC189237
0.7143	Intermediate Similarity	NPC162632
0.7129	Intermediate Similarity	NPC472972
0.7129	Intermediate Similarity	NPC46761
0.7129	Intermediate Similarity	NPC117685
0.7128	Intermediate Similarity	NPC471042
0.7128	Intermediate Similarity	NPC195640
0.7128	Intermediate Similarity	NPC10005
0.7128	Intermediate Similarity	NPC324063
0.7128	Intermediate Similarity	NPC329943

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471728 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	169
0.1-0.2	1457
0.2-0.3	3856
0.3-0.4	2503
0.4-0.5	768
0.5-0.6	194
0.6-0.7	173
0.7-0.8	40
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8202	Intermediate Similarity	NPD3573	Approved
0.7416	Intermediate Similarity	NPD4695	Discontinued
0.732	Intermediate Similarity	NPD7900	Approved
0.732	Intermediate Similarity	NPD7748	Approved
0.732	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD7515	Phase 2
0.7263	Intermediate Similarity	NPD5328	Approved
0.7263	Intermediate Similarity	NPD6080	Approved
0.7263	Intermediate Similarity	NPD6904	Approved
0.7263	Intermediate Similarity	NPD6673	Approved
0.7253	Intermediate Similarity	NPD4223	Phase 3
0.7253	Intermediate Similarity	NPD4221	Approved
0.7245	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD5737	Approved
0.7158	Intermediate Similarity	NPD5208	Approved
0.7158	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD6672	Approved
0.7143	Intermediate Similarity	NPD6001	Approved
0.7128	Intermediate Similarity	NPD7334	Approved
0.7128	Intermediate Similarity	NPD6684	Approved
0.7128	Intermediate Similarity	NPD7521	Approved
0.7128	Intermediate Similarity	NPD7146	Approved
0.7128	Intermediate Similarity	NPD6409	Approved
0.7128	Intermediate Similarity	NPD3618	Phase 1
0.7128	Intermediate Similarity	NPD5330	Approved
0.7113	Intermediate Similarity	NPD5693	Phase 1
0.7113	Intermediate Similarity	NPD6079	Approved
0.71	Intermediate Similarity	NPD7902	Approved
0.71	Intermediate Similarity	NPD4755	Approved
0.7097	Intermediate Similarity	NPD4197	Approved
0.7083	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4137	Phase 3
0.7037	Intermediate Similarity	NPD6882	Approved
0.7021	Intermediate Similarity	NPD5329	Approved
0.701	Intermediate Similarity	NPD5692	Phase 3
0.7	Intermediate Similarity	NPD5222	Approved
0.7	Intermediate Similarity	NPD4697	Phase 3
0.7	Intermediate Similarity	NPD3617	Approved
0.7	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5221	Approved
0.6979	Remote Similarity	NPD6903	Approved
0.6977	Remote Similarity	NPD4691	Approved
0.6977	Remote Similarity	NPD4747	Approved
0.6961	Remote Similarity	NPD5285	Approved
0.6961	Remote Similarity	NPD4700	Approved
0.6961	Remote Similarity	NPD5286	Approved
0.6961	Remote Similarity	NPD4696	Approved
0.6952	Remote Similarity	NPD6008	Approved
0.6952	Remote Similarity	NPD6402	Approved
0.6952	Remote Similarity	NPD5739	Approved
0.6952	Remote Similarity	NPD6675	Approved
0.6952	Remote Similarity	NPD7128	Approved
0.6947	Remote Similarity	NPD4688	Approved
0.6947	Remote Similarity	NPD4623	Approved
0.6947	Remote Similarity	NPD4690	Approved
0.6947	Remote Similarity	NPD4693	Phase 3
0.6947	Remote Similarity	NPD4689	Approved
0.6947	Remote Similarity	NPD5205	Approved
0.6947	Remote Similarity	NPD4138	Approved
0.6947	Remote Similarity	NPD4519	Discontinued
0.6947	Remote Similarity	NPD6098	Approved
0.6939	Remote Similarity	NPD6050	Approved
0.6939	Remote Similarity	NPD5694	Approved
0.6931	Remote Similarity	NPD5173	Approved
0.6915	Remote Similarity	NPD3666	Approved
0.6915	Remote Similarity	NPD3665	Phase 1
0.6915	Remote Similarity	NPD3133	Approved
0.6907	Remote Similarity	NPD4753	Phase 2
0.6893	Remote Similarity	NPD5223	Approved
0.6887	Remote Similarity	NPD5697	Approved
0.6887	Remote Similarity	NPD5701	Approved
0.6882	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD4202	Approved
0.6837	Remote Similarity	NPD5207	Approved
0.6832	Remote Similarity	NPD7732	Phase 3
0.6827	Remote Similarity	NPD5225	Approved
0.6827	Remote Similarity	NPD5224	Approved
0.6827	Remote Similarity	NPD5226	Approved
0.6827	Remote Similarity	NPD5211	Phase 2
0.6827	Remote Similarity	NPD4633	Approved
0.6822	Remote Similarity	NPD6011	Approved
0.6822	Remote Similarity	NPD6899	Approved
0.6822	Remote Similarity	NPD7320	Approved
0.6822	Remote Similarity	NPD6881	Approved
0.6786	Remote Similarity	NPD6009	Approved
0.6771	Remote Similarity	NPD5280	Approved
0.6771	Remote Similarity	NPD4694	Approved
0.6771	Remote Similarity	NPD5690	Phase 2
0.6768	Remote Similarity	NPD5284	Approved
0.6768	Remote Similarity	NPD5281	Approved
0.6765	Remote Similarity	NPD6084	Phase 2
0.6765	Remote Similarity	NPD6083	Phase 2
0.6762	Remote Similarity	NPD5174	Approved
0.6762	Remote Similarity	NPD5175	Approved
0.6762	Remote Similarity	NPD4754	Approved
0.6759	Remote Similarity	NPD6012	Approved
0.6759	Remote Similarity	NPD6014	Approved
0.6759	Remote Similarity	NPD6013	Approved
0.6759	Remote Similarity	NPD6372	Approved
0.6759	Remote Similarity	NPD6373	Approved
0.6742	Remote Similarity	NPD4058	Approved
0.6737	Remote Similarity	NPD3668	Phase 3
0.6733	Remote Similarity	NPD5695	Phase 3
0.6729	Remote Similarity	NPD6412	Phase 2
0.6702	Remote Similarity	NPD3667	Approved
0.6699	Remote Similarity	NPD5696	Approved
0.6698	Remote Similarity	NPD5141	Approved
0.6697	Remote Similarity	NPD6883	Approved
0.6697	Remote Similarity	NPD7290	Approved
0.6697	Remote Similarity	NPD7102	Approved
0.6667	Remote Similarity	NPD7614	Phase 1
0.6636	Remote Similarity	NPD4767	Approved
0.6636	Remote Similarity	NPD4768	Approved
0.6636	Remote Similarity	NPD8130	Phase 1
0.6636	Remote Similarity	NPD6869	Approved
0.6636	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD6617	Approved
0.6636	Remote Similarity	NPD6649	Approved
0.6636	Remote Similarity	NPD6650	Approved
0.6636	Remote Similarity	NPD6847	Approved
0.6609	Remote Similarity	NPD6054	Approved
0.6609	Remote Similarity	NPD6059	Approved
0.6577	Remote Similarity	NPD8297	Approved
0.6569	Remote Similarity	NPD5654	Approved
0.6569	Remote Similarity	NPD5210	Approved
0.6569	Remote Similarity	NPD4629	Approved
0.6562	Remote Similarity	NPD4786	Approved
0.6559	Remote Similarity	NPD4195	Approved
0.6556	Remote Similarity	NPD5733	Approved
0.6556	Remote Similarity	NPD4687	Approved
0.6552	Remote Similarity	NPD6016	Approved
0.6552	Remote Similarity	NPD6015	Approved
0.6552	Remote Similarity	NPD3621	Clinical (unspecified phase)
0.6535	Remote Similarity	NPD6399	Phase 3
0.6518	Remote Similarity	NPD4632	Approved
0.6517	Remote Similarity	NPD5276	Approved
0.6514	Remote Similarity	NPD4730	Approved
0.6514	Remote Similarity	NPD4729	Approved
0.6514	Remote Similarity	NPD5128	Approved
0.6512	Remote Similarity	NPD7331	Phase 2
0.6496	Remote Similarity	NPD5988	Approved
0.6496	Remote Similarity	NPD6370	Approved
0.6495	Remote Similarity	NPD1694	Approved
0.6458	Remote Similarity	NPD4788	Approved
0.6449	Remote Similarity	NPD6052	Approved
0.6442	Remote Similarity	NPD5959	Approved
0.6441	Remote Similarity	NPD8328	Phase 3
0.6429	Remote Similarity	NPD5279	Phase 3
0.6404	Remote Similarity	NPD6274	Approved
0.6396	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6396	Remote Similarity	NPD5251	Approved
0.6396	Remote Similarity	NPD5169	Approved
0.6396	Remote Similarity	NPD5135	Approved
0.6396	Remote Similarity	NPD4634	Approved
0.6396	Remote Similarity	NPD5248	Approved
0.6396	Remote Similarity	NPD5247	Approved
0.6396	Remote Similarity	NPD5249	Phase 3
0.6396	Remote Similarity	NPD5250	Approved
0.6395	Remote Similarity	NPD7341	Phase 2
0.6387	Remote Similarity	NPD7492	Approved
0.6381	Remote Similarity	NPD7638	Approved
0.6364	Remote Similarity	NPD7736	Approved
0.6364	Remote Similarity	NPD5168	Approved
0.6348	Remote Similarity	NPD7115	Discovery
0.6348	Remote Similarity	NPD6317	Approved
0.6339	Remote Similarity	NPD5216	Approved
0.6339	Remote Similarity	NPD5215	Approved
0.6339	Remote Similarity	NPD5217	Approved
0.6339	Remote Similarity	NPD5127	Approved
0.6337	Remote Similarity	NPD4096	Approved
0.6333	Remote Similarity	NPD6616	Approved
0.6333	Remote Similarity	NPD7507	Approved
0.6327	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD7640	Approved
0.6321	Remote Similarity	NPD7639	Approved
0.6293	Remote Similarity	NPD6314	Approved
0.6293	Remote Similarity	NPD6313	Approved
0.6293	Remote Similarity	NPD6335	Approved
0.6281	Remote Similarity	NPD8293	Discontinued
0.6281	Remote Similarity	NPD7078	Approved
0.6275	Remote Similarity	NPD6411	Approved
0.6275	Remote Similarity	NPD8034	Phase 2
0.6275	Remote Similarity	NPD8035	Phase 2
0.6273	Remote Similarity	NPD6614	Approved
0.6261	Remote Similarity	NPD6868	Approved
0.625	Remote Similarity	NPD4139	Approved
0.625	Remote Similarity	NPD8028	Phase 2
0.625	Remote Similarity	NPD4692	Approved
0.6239	Remote Similarity	NPD7101	Approved
0.6239	Remote Similarity	NPD7100	Approved
0.623	Remote Similarity	NPD6033	Approved
0.6216	Remote Similarity	NPD6686	Approved
0.6214	Remote Similarity	NPD5133	Approved
0.6211	Remote Similarity	NPD7645	Phase 2
0.6204	Remote Similarity	NPD5091	Approved
0.6186	Remote Similarity	NPD6319	Approved
0.6179	Remote Similarity	NPD7319	Approved
0.6174	Remote Similarity	NPD5167	Approved
0.6161	Remote Similarity	NPD8132	Clinical (unspecified phase)

Structure

NPC471728 OpenBabel07101718332D 25 28 0 0 1 0 0 0 0 0999 V2000 -3.3446 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8274 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 -1.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 -1.4483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8362 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 -1.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -0.4828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3446 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8362 -0.4828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6723 -2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 24 1 0 0 0 0 13 21 1 1 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 22 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 6 0 0 0 17 19 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 1 0 0 0 21 5 1 1 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	76328393
ChEMBL	CHEMBL3109294
ZINC

Physicochemical Properties

Molecular Weight:	344.20
ALogP:	1.6331
MLogP:	3.33
XLogP:	3.306
# Rotatable Bonds:	5
Polar Surface Area:	52.6
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	25

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