CFam Chemical Families Database
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You are searching for "CFAMM00435330" in compound.

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CFAM Mol ID CFAMM00435330
Family CFFBM15646 Pol polyprotein inhibitor Enantiomer of AG1284 family
Superfamily CFSBM6665 Pol polyprotein Binder Superfamily 45
Class CFCBM2081 Class 5131
External ID CHEMBL347662 External Source CHEMBL
PubChem CID 470614 Functional Category Bioactive
Molecule Name AC1LALEP
IUPAC Name N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylbenzamide
Synonyms CHEBI:370456;N-((1S,2R)-3-{2-[N-(tert-butyl)carbamoyl]phenyl}-2-hydroxy-1-benzylpropyl)[2-methyl-5-(2-1,2,3,4-tetrahydroisoquinolylcarbonyl)phenyl]carboxamide;N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylbenzamide
InChi InChI=1S/C39H43N3O4/c1-26-18-19-30(38(46)42-21-20-28-14-8-9-16-31(28)25-42)23-33(26)36(44)40-34(22-27-12-6-5-7-13-27)35(43)24-29-15-10-11-17-32(29)37(45)41-39(2,3)4/h5-19,23,34-35,43H,20-22,24-25H2,1-4H3,(H,40,44)(H,41,45)/t34-,35+/m0/s1
Formula C39H43N3O4 Molecular Weight 617.78
Cross Link CHEMBL347662

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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