CFam Chemical Families Database
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You are searching for "CFAMM00306726" in compound.

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CFAM Mol ID CFAMM00306726
Family CFFBM74 Pol polyprotein inhibitor AC1LAD48 family
Superfamily CFSAD446 HIV-1 protease Inhibitor Atazanavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL304153 External Source CHEMBL
PubChem CID 462336 Functional Category Bioactive
Molecule Name AC1LA5WR
IUPAC Name (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
Synonyms Substituted Cyclic Urea 45;(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one;(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis(4-pyridylmethyl)-2H-1,3-diazepin-2-one
InChi InChI=1S/C31H32N4O3/c36-29-27(19-23-11-15-32-16-12-23)34(21-25-7-3-1-4-8-25)31(38)35(22-26-9-5-2-6-10-26)28(30(29)37)20-24-13-17-33-18-14-24/h1-18,27-30,36-37H,19-22H2/t27-,28-,29+,30+/m1/s1
InChiKey IJMLLSKOKKJLBX-XAZDILKDSA-N
Formula C31H32N4O3 Molecular Weight 508.61
Cross Link CHEMBL304153
Structure

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).
 

Last update by

 
2014.08.29
 

 

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National University of Singapore, Singapore


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