CFam Chemical Families Database
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You are searching for "CFAMM00071737" in compound.

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CFAM Mol ID CFAMM00071737
Family CFFAD515 HIV-1 protease Inhibitor Lopinavir Family
Superfamily CFSAD447 HIV-1 protease Inhibitor Lopinavir Superfamily
Class CFCAD412 Class 412
External ID CHEMBL12900 External Source CHEMBL
PubChem CID 477527 Functional Category Bioactive
Molecule Name AC1L9X2B
IUPAC Name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Synonyms (3S,4aS,8aS)-2-{(2R,3S)-3-[2-(2,6-Dimethylphenoxy)-ethanoylamino]-2-hydroxy-4-phenyl-butyl}-decahydro-isoquinoline-3-carboxylic acid tert-butylamide;(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
InChi InChI=1S/C34H49N3O4/c1-23-12-11-13-24(2)32(23)41-22-31(39)35-28(18-25-14-7-6-8-15-25)30(38)21-37-20-27-17-10-9-16-26(27)19-29(37)33(40)36-34(3,4)5/h6-8,11-15,26-30,38H,9-10,16-22H2,1-5H3,(H,35,39)(H,36,40)/t26-,27+,28-,29-,30+/m0/s1
Formula C34H49N3O4 Molecular Weight 563.77
Cross Link CHEMBL12900

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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