NPASS Natural Product

Natural Product: NPC474918

Natural Product ID:	NPC474918
Common Name:	Hypargenin F
IUPAC Name:
Synonyms:	hypargenin F
Molecular Formula:	C20H26O4
Standard InCHIKey:	JICKNLHEJNAPNI-FIWHBWSRSA-N
Standard InCHI:	InChI=1S/C20H26O4/c1-11(2)13-15(21)12-7-10-20(24)18(3,4)8-6-9-19(20,5)14(12)17(23)16(13)22/h7,10-11,22,24H,6,8-9H2,1-5H3/t19-,20?/m1/s1
Canonical SMILES:	O=C1C(=C(C(C)C)C(=O)C2=C1[C@@]1(C)CCCC(C1(C=C2)O)(C)C)O
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
NPO26904	Salvia hypargeia	Species	Lamiaceae	Eukaryota	roots			PMID[3236010]

Biological Activity

Activity Type	# Activity
MIC	3
Others	5

Activity Type	# Activity
Organism	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	>	7	mm	23356964
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	>	7	mm	26151487
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	IZ	>	7	mm	19496609
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	62.5	ug/ml	15711537
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	125	ug/ml	15711537
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	>	7	mm	Open TG-GATES in vivo data: Hematology
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	>	7	mm	18271551
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	125	ug/ml	18710917

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 NPC474918 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	128
0.1-0.2	762
0.2-0.3	2615
0.3-0.4	5677
0.4-0.5	10936
0.5-0.6	6832
0.6-0.7	3264
0.7-0.8	639
0.8-0.85	34
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.881	High Similarity	NPC225515
0.8539	High Similarity	NPC58271
0.8372	Intermediate Similarity	NPC55869
0.828	Intermediate Similarity	NPC474882
0.8256	Intermediate Similarity	NPC108955
0.8242	Intermediate Similarity	NPC65615
0.8242	Intermediate Similarity	NPC68148
0.8235	Intermediate Similarity	NPC30321
0.8222	Intermediate Similarity	NPC220930
0.8222	Intermediate Similarity	NPC272039
0.8214	Intermediate Similarity	NPC92080
0.82	Intermediate Similarity	NPC168883
0.8163	Intermediate Similarity	NPC230918
0.8144	Intermediate Similarity	NPC470184
0.814	Intermediate Similarity	NPC27817
0.8132	Intermediate Similarity	NPC72397
0.8119	Intermediate Similarity	NPC300026
0.8111	Intermediate Similarity	NPC472974
0.8095	Intermediate Similarity	NPC175079
0.8068	Intermediate Similarity	NPC103486
0.8043	Intermediate Similarity	NPC472676
0.8043	Intermediate Similarity	NPC112454
0.8043	Intermediate Similarity	NPC36668
0.8043	Intermediate Similarity	NPC118011
0.8043	Intermediate Similarity	NPC472688
0.8023	Intermediate Similarity	NPC275494
0.8023	Intermediate Similarity	NPC189485
0.8023	Intermediate Similarity	NPC471409
0.8022	Intermediate Similarity	NPC471792
0.8	Intermediate Similarity	NPC272617
0.8	Intermediate Similarity	NPC110725
0.8	Intermediate Similarity	NPC132228
0.8	Intermediate Similarity	NPC8518
0.8	Intermediate Similarity	NPC263997
0.8	Intermediate Similarity	NPC32037
0.8	Intermediate Similarity	NPC476245
0.798	Intermediate Similarity	NPC247957
0.798	Intermediate Similarity	NPC249187
0.7979	Intermediate Similarity	NPC211230
0.7978	Intermediate Similarity	NPC105803
0.7955	Intermediate Similarity	NPC226068
0.7935	Intermediate Similarity	NPC307298
0.7935	Intermediate Similarity	NPC48107
0.7935	Intermediate Similarity	NPC53454
0.7912	Intermediate Similarity	NPC472985
0.7912	Intermediate Similarity	NPC239685
0.7912	Intermediate Similarity	NPC472986
0.7907	Intermediate Similarity	NPC34110
0.7895	Intermediate Similarity	NPC474328
0.7872	Intermediate Similarity	NPC470036
0.7872	Intermediate Similarity	NPC116726
0.7872	Intermediate Similarity	NPC73457
0.7872	Intermediate Similarity	NPC204341
0.7872	Intermediate Similarity	NPC174167
0.7865	Intermediate Similarity	NPC92226
0.7865	Intermediate Similarity	NPC158411
0.7865	Intermediate Similarity	NPC38796
0.7857	Intermediate Similarity	NPC247586
0.7841	Intermediate Similarity	NPC469637
0.7835	Intermediate Similarity	NPC208094
0.7835	Intermediate Similarity	NPC470522
0.7835	Intermediate Similarity	NPC135685
0.7822	Intermediate Similarity	NPC257353
0.7816	Intermediate Similarity	NPC476808
0.7812	Intermediate Similarity	NPC295347
0.7812	Intermediate Similarity	NPC147232
0.7802	Intermediate Similarity	NPC6185
0.7802	Intermediate Similarity	NPC241512
0.7802	Intermediate Similarity	NPC33663
0.7802	Intermediate Similarity	NPC474680
0.78	Intermediate Similarity	NPC111323
0.7791	Intermediate Similarity	NPC151622
0.7791	Intermediate Similarity	NPC7629
0.7791	Intermediate Similarity	NPC1254
0.7789	Intermediate Similarity	NPC263780
0.7778	Intermediate Similarity	NPC49019
0.7778	Intermediate Similarity	NPC53733
0.7766	Intermediate Similarity	NPC113393
0.7766	Intermediate Similarity	NPC129913
0.7755	Intermediate Similarity	NPC103051
0.7753	Intermediate Similarity	NPC475863
0.7753	Intermediate Similarity	NPC121984
0.7753	Intermediate Similarity	NPC470034
0.7742	Intermediate Similarity	NPC471791
0.7742	Intermediate Similarity	NPC471793
0.7727	Intermediate Similarity	NPC192329
0.7727	Intermediate Similarity	NPC474113
0.7723	Intermediate Similarity	NPC72255
0.7717	Intermediate Similarity	NPC94666
0.7708	Intermediate Similarity	NPC196227
0.7701	Intermediate Similarity	NPC257666
0.7701	Intermediate Similarity	NPC266193
0.7692	Intermediate Similarity	NPC476412
0.7677	Intermediate Similarity	NPC327431
0.766	Intermediate Similarity	NPC173042
0.7647	Intermediate Similarity	NPC85529
0.7647	Intermediate Similarity	NPC32006
0.7647	Intermediate Similarity	NPC153660
0.764	Intermediate Similarity	NPC287063
0.764	Intermediate Similarity	NPC476809
0.7634	Intermediate Similarity	NPC136548
0.7634	Intermediate Similarity	NPC287079
0.7634	Intermediate Similarity	NPC476409
0.7634	Intermediate Similarity	NPC181327
0.7629	Intermediate Similarity	NPC271195
0.7629	Intermediate Similarity	NPC777
0.7629	Intermediate Similarity	NPC280725
0.7624	Intermediate Similarity	NPC320154
0.7609	Intermediate Similarity	NPC255174
0.7609	Intermediate Similarity	NPC469993
0.7604	Intermediate Similarity	NPC134826
0.7604	Intermediate Similarity	NPC271652
0.7604	Intermediate Similarity	NPC131840
0.7596	Intermediate Similarity	NPC20192
0.7586	Intermediate Similarity	NPC263582
0.7586	Intermediate Similarity	NPC472305
0.7582	Intermediate Similarity	NPC258985
0.7579	Intermediate Similarity	NPC475823
0.7579	Intermediate Similarity	NPC474209
0.7576	Intermediate Similarity	NPC471717
0.7556	Intermediate Similarity	NPC6663
0.7556	Intermediate Similarity	NPC470298
0.7556	Intermediate Similarity	NPC275766
0.7556	Intermediate Similarity	NPC474085
0.7551	Intermediate Similarity	NPC117133
0.7551	Intermediate Similarity	NPC249954
0.7528	Intermediate Similarity	NPC170394
0.7528	Intermediate Similarity	NPC308038
0.7528	Intermediate Similarity	NPC19900
0.7527	Intermediate Similarity	NPC472488
0.7527	Intermediate Similarity	NPC203795
0.7527	Intermediate Similarity	NPC472479
0.7526	Intermediate Similarity	NPC472977
0.7526	Intermediate Similarity	NPC217624
0.7526	Intermediate Similarity	NPC23170
0.7526	Intermediate Similarity	NPC196485
0.7526	Intermediate Similarity	NPC474690
0.7526	Intermediate Similarity	NPC299100
0.7526	Intermediate Similarity	NPC472976
0.7526	Intermediate Similarity	NPC245972
0.7526	Intermediate Similarity	NPC160413
0.7526	Intermediate Similarity	NPC181393
0.7525	Intermediate Similarity	NPC87351
0.75	Intermediate Similarity	NPC61952
0.75	Intermediate Similarity	NPC474720
0.75	Intermediate Similarity	NPC154072
0.75	Intermediate Similarity	NPC97377
0.75	Intermediate Similarity	NPC165711
0.75	Intermediate Similarity	NPC233116
0.75	Intermediate Similarity	NPC472978
0.75	Intermediate Similarity	NPC144258
0.75	Intermediate Similarity	NPC19114
0.7477	Intermediate Similarity	NPC474271
0.7476	Intermediate Similarity	NPC166607
0.7475	Intermediate Similarity	NPC161147
0.7475	Intermediate Similarity	NPC474785
0.7475	Intermediate Similarity	NPC320306
0.7475	Intermediate Similarity	NPC273269
0.7475	Intermediate Similarity	NPC474938
0.7474	Intermediate Similarity	NPC262043
0.7474	Intermediate Similarity	NPC473100
0.7474	Intermediate Similarity	NPC472973
0.7471	Intermediate Similarity	NPC169056
0.7471	Intermediate Similarity	NPC166018
0.7471	Intermediate Similarity	NPC225665
0.7453	Intermediate Similarity	NPC179798
0.7453	Intermediate Similarity	NPC304180
0.7451	Intermediate Similarity	NPC131366
0.7451	Intermediate Similarity	NPC251017
0.7451	Intermediate Similarity	NPC311612
0.7449	Intermediate Similarity	NPC259286
0.7449	Intermediate Similarity	NPC171395
0.7449	Intermediate Similarity	NPC180950
0.7449	Intermediate Similarity	NPC297199
0.7447	Intermediate Similarity	NPC136948
0.7447	Intermediate Similarity	NPC230016
0.7444	Intermediate Similarity	NPC18955
0.7444	Intermediate Similarity	NPC26139
0.7444	Intermediate Similarity	NPC2482
0.7444	Intermediate Similarity	NPC172013
0.7429	Intermediate Similarity	NPC87335
0.7429	Intermediate Similarity	NPC228477
0.7429	Intermediate Similarity	NPC137911
0.7426	Intermediate Similarity	NPC472637
0.7426	Intermediate Similarity	NPC163372
0.7426	Intermediate Similarity	NPC302537
0.7423	Intermediate Similarity	NPC472930
0.7423	Intermediate Similarity	NPC472942
0.7423	Intermediate Similarity	NPC476416
0.7419	Intermediate Similarity	NPC476426
0.7419	Intermediate Similarity	NPC70685
0.7419	Intermediate Similarity	NPC79573
0.7419	Intermediate Similarity	NPC15807
0.7416	Intermediate Similarity	NPC74410
0.7416	Intermediate Similarity	NPC198240
0.7416	Intermediate Similarity	NPC475994
0.7416	Intermediate Similarity	NPC62336
0.7416	Intermediate Similarity	NPC179028
0.7404	Intermediate Similarity	NPC472925
0.7404	Intermediate Similarity	NPC185

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474918 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	140
0.1-0.2	1107
0.2-0.3	3332
0.3-0.4	2953
0.4-0.5	1099
0.5-0.6	281
0.6-0.7	212
0.7-0.8	35
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8256	Intermediate Similarity	NPD4695	Discontinued
0.8043	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7912	Intermediate Similarity	NPD5280	Approved
0.7912	Intermediate Similarity	NPD4694	Approved
0.7717	Intermediate Similarity	NPD4623	Approved
0.7717	Intermediate Similarity	NPD5690	Phase 2
0.7717	Intermediate Similarity	NPD5279	Phase 3
0.7717	Intermediate Similarity	NPD4519	Discontinued
0.7684	Intermediate Similarity	NPD5284	Approved
0.7684	Intermediate Similarity	NPD5281	Approved
0.7614	Intermediate Similarity	NPD3617	Approved
0.7527	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4197	Approved
0.7423	Intermediate Similarity	NPD5133	Approved
0.7419	Intermediate Similarity	NPD5329	Approved
0.7368	Intermediate Similarity	NPD4518	Approved
0.732	Intermediate Similarity	NPD5694	Approved
0.7292	Intermediate Similarity	NPD4753	Phase 2
0.7283	Intermediate Similarity	NPD4223	Phase 3
0.7283	Intermediate Similarity	NPD4221	Approved
0.7273	Intermediate Similarity	NPD4629	Approved
0.7273	Intermediate Similarity	NPD5210	Approved
0.7216	Intermediate Similarity	NPD4096	Approved
0.7216	Intermediate Similarity	NPD5692	Phase 3
0.7184	Intermediate Similarity	NPD5211	Phase 2
0.7158	Intermediate Similarity	NPD3618	Phase 1
0.7143	Intermediate Similarity	NPD6050	Approved
0.71	Intermediate Similarity	NPD5695	Phase 3
0.7065	Intermediate Similarity	NPD8259	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD1696	Phase 3
0.7048	Intermediate Similarity	NPD5141	Approved
0.7041	Intermediate Similarity	NPD5207	Approved
0.703	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD4697	Phase 3
0.703	Intermediate Similarity	NPD5221	Approved
0.703	Intermediate Similarity	NPD5222	Approved
0.7	Intermediate Similarity	NPD5282	Discontinued
0.699	Remote Similarity	NPD4696	Approved
0.699	Remote Similarity	NPD5286	Approved
0.699	Remote Similarity	NPD5285	Approved
0.6979	Remote Similarity	NPD5205	Approved
0.6979	Remote Similarity	NPD4688	Approved
0.6979	Remote Similarity	NPD4693	Phase 3
0.6979	Remote Similarity	NPD4689	Approved
0.6979	Remote Similarity	NPD4138	Approved
0.6979	Remote Similarity	NPD4690	Approved
0.6966	Remote Similarity	NPD4687	Approved
0.6961	Remote Similarity	NPD4755	Approved
0.6961	Remote Similarity	NPD5173	Approved
0.6947	Remote Similarity	NPD3666	Approved
0.6947	Remote Similarity	NPD3133	Approved
0.6947	Remote Similarity	NPD3665	Phase 1
0.6932	Remote Similarity	NPD5276	Approved
0.6931	Remote Similarity	NPD5654	Approved
0.6923	Remote Similarity	NPD5223	Approved
0.6915	Remote Similarity	NPD3667	Approved
0.69	Remote Similarity	NPD5778	Approved
0.69	Remote Similarity	NPD5779	Approved
0.6893	Remote Similarity	NPD5696	Approved
0.6857	Remote Similarity	NPD4633	Approved
0.6857	Remote Similarity	NPD5225	Approved
0.6857	Remote Similarity	NPD5224	Approved
0.6857	Remote Similarity	NPD5226	Approved
0.6857	Remote Similarity	NPD5091	Approved
0.6827	Remote Similarity	NPD4700	Approved
0.6809	Remote Similarity	NPD4692	Approved
0.6809	Remote Similarity	NPD4139	Approved
0.68	Remote Similarity	NPD6079	Approved
0.68	Remote Similarity	NPD7515	Phase 2
0.68	Remote Similarity	NPD5693	Phase 1
0.6796	Remote Similarity	NPD6083	Phase 2
0.6796	Remote Similarity	NPD6084	Phase 2
0.6796	Remote Similarity	NPD5959	Approved
0.6792	Remote Similarity	NPD5174	Approved
0.6792	Remote Similarity	NPD5175	Approved
0.6786	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD4058	Approved
0.6778	Remote Similarity	NPD5733	Approved
0.6774	Remote Similarity	NPD4195	Approved
0.6771	Remote Similarity	NPD4786	Approved
0.6768	Remote Similarity	NPD6904	Approved
0.6768	Remote Similarity	NPD5328	Approved
0.6768	Remote Similarity	NPD6673	Approved
0.6768	Remote Similarity	NPD6080	Approved
0.6739	Remote Similarity	NPD4756	Discovery
0.6735	Remote Similarity	NPD3573	Approved
0.6733	Remote Similarity	NPD4202	Approved
0.6727	Remote Similarity	NPD4634	Approved
0.6667	Remote Similarity	NPD6404	Discontinued
0.6667	Remote Similarity	NPD7748	Approved
0.6667	Remote Similarity	NPD5737	Approved
0.6667	Remote Similarity	NPD6672	Approved
0.6636	Remote Similarity	NPD4754	Approved
0.6635	Remote Similarity	NPD7902	Approved
0.6634	Remote Similarity	NPD6411	Approved
0.6628	Remote Similarity	NPD7341	Phase 2
0.6606	Remote Similarity	NPD5697	Approved
0.6598	Remote Similarity	NPD3668	Phase 3
0.6569	Remote Similarity	NPD6399	Phase 3
0.6562	Remote Similarity	NPD4800	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD7331	Phase 2
0.6549	Remote Similarity	NPD4632	Approved
0.6545	Remote Similarity	NPD6011	Approved
0.6545	Remote Similarity	NPD6881	Approved
0.6545	Remote Similarity	NPD4730	Approved
0.6545	Remote Similarity	NPD6899	Approved
0.6545	Remote Similarity	NPD4729	Approved
0.6538	Remote Similarity	NPD7614	Phase 1
0.6531	Remote Similarity	NPD1694	Approved
0.6522	Remote Similarity	NPD8264	Approved
0.6522	Remote Similarity	NPD7115	Discovery
0.6518	Remote Similarity	NPD6650	Approved
0.6518	Remote Similarity	NPD6649	Approved
0.6517	Remote Similarity	NPD4137	Phase 3
0.6514	Remote Similarity	NPD4768	Approved
0.6514	Remote Similarity	NPD6675	Approved
0.6514	Remote Similarity	NPD6402	Approved
0.6514	Remote Similarity	NPD7128	Approved
0.6514	Remote Similarity	NPD4767	Approved
0.6514	Remote Similarity	NPD5739	Approved
0.6509	Remote Similarity	NPD7639	Approved
0.6509	Remote Similarity	NPD7640	Approved
0.6504	Remote Similarity	NPD7260	Phase 2
0.6486	Remote Similarity	NPD6013	Approved
0.6486	Remote Similarity	NPD6373	Approved
0.6486	Remote Similarity	NPD6012	Approved
0.6486	Remote Similarity	NPD6014	Approved
0.6486	Remote Similarity	NPD6372	Approved
0.6465	Remote Similarity	NPD6098	Approved
0.6455	Remote Similarity	NPD5701	Approved
0.6444	Remote Similarity	NPD4747	Approved
0.6444	Remote Similarity	NPD4691	Approved
0.6442	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD6101	Approved
0.6436	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6883	Approved
0.6429	Remote Similarity	NPD7290	Approved
0.6429	Remote Similarity	NPD7102	Approved
0.6429	Remote Similarity	NPD5249	Phase 3
0.6429	Remote Similarity	NPD5169	Approved
0.6429	Remote Similarity	NPD5135	Approved
0.6429	Remote Similarity	NPD5251	Approved
0.6429	Remote Similarity	NPD5248	Approved
0.6429	Remote Similarity	NPD5247	Approved
0.6429	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD5250	Approved
0.6415	Remote Similarity	NPD7638	Approved
0.6396	Remote Similarity	NPD5128	Approved
0.6396	Remote Similarity	NPD7320	Approved
0.6396	Remote Similarity	NPD5168	Approved
0.6392	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD6009	Approved
0.6372	Remote Similarity	NPD5217	Approved
0.6372	Remote Similarity	NPD5215	Approved
0.6372	Remote Similarity	NPD6869	Approved
0.6372	Remote Similarity	NPD6847	Approved
0.6372	Remote Similarity	NPD5127	Approved
0.6372	Remote Similarity	NPD6617	Approved
0.6372	Remote Similarity	NPD5216	Approved
0.6372	Remote Similarity	NPD8130	Phase 1
0.6364	Remote Similarity	NPD6008	Approved
0.6354	Remote Similarity	NPD6931	Approved
0.6354	Remote Similarity	NPD7332	Phase 2
0.6354	Remote Similarity	NPD7514	Phase 3
0.6354	Remote Similarity	NPD6930	Phase 2
0.6346	Remote Similarity	NPD7900	Approved
0.6346	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6346	Remote Similarity	NPD6001	Approved
0.6337	Remote Similarity	NPD5208	Approved
0.6327	Remote Similarity	NPD6110	Phase 1
0.6327	Remote Similarity	NPD3527	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD6695	Phase 3
0.6327	Remote Similarity	NPD4788	Approved
0.6316	Remote Similarity	NPD6882	Approved
0.6316	Remote Similarity	NPD8297	Approved
0.6311	Remote Similarity	NPD7637	Suspended
0.63	Remote Similarity	NPD7146	Approved
0.63	Remote Similarity	NPD6409	Approved
0.63	Remote Similarity	NPD7334	Approved
0.63	Remote Similarity	NPD7521	Approved
0.63	Remote Similarity	NPD5330	Approved
0.63	Remote Similarity	NPD6684	Approved
0.6283	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6263	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6262	Remote Similarity	NPD4225	Approved
0.625	Remote Similarity	NPD6929	Approved
0.6238	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6237	Remote Similarity	NPD4784	Approved
0.6237	Remote Similarity	NPD4785	Approved
0.6228	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD6319	Approved
0.6218	Remote Similarity	NPD6054	Approved
0.6214	Remote Similarity	NPD5785	Approved
0.6207	Remote Similarity	NPD5167	Approved
0.62	Remote Similarity	NPD5363	Approved
0.6195	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.619	Remote Similarity	NPD6845	Suspended
0.618	Remote Similarity	NPD3704	Approved
0.6176	Remote Similarity	NPD6903	Approved
0.6176	Remote Similarity	NPD7513	Clinical (unspecified phase)

Structure

NPC474918 OpenBabel07101719522D 24 26 0 0 1 0 0 0 0 0999 V2000 -4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.3660 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 0.0000 -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 -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 -0.0000 1.0000 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 -1.7321 1.0000 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 -1.7321 -0.0000 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 -3.4641 -0.0000 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 O 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 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 20 1 0 0 0 0 19 20 1 1 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL487617
ZINC

Physicochemical Properties

Molecular Weight:	330.18
ALogP:	0.5768
MLogP:	3.22
XLogP:	2.765
# Rotatable Bonds:	8
Polar Surface Area:	74.6
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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