CFam Chemical Families Database
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You are searching for "CFAMM00430152" in compound.

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CFAM Mol ID CFAMM00430152
Family CFFBM14759 Pol polyprotein inhibitor (4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one family
Superfamily CFSBM1461 Pol polyprotein Binder Superfamily 19
Class CFCBM43 Class 3093
External ID CHEMBL284329 External Source CHEMBL
PubChem CID 485363 Functional Category Bioactive
Molecule Name (4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
IUPAC Name (4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
Synonyms AC1LAC7A;CTK7F2985;AG-K-64631;Cyclic Urea Based HIV-1 Protease Inhibitor 26;2H-1,3-Diazepin-2-one, 4,7-bis[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-, (4R,5S,6S,7R)-
InChi InChI=1S/C45H42N2O7/c48-43-37(23-29-11-15-39-41(25-29)53-19-17-51-39)46(27-31-9-13-33-5-1-3-7-35(33)21-31)45(50)47(28-32-10-14-34-6-2-4-8-36(34)22-32)38(44(43)49)24-30-12-16-40-42(26-30)54-20-18-52-40/h1-16,21-22,25-26,37-38,43-44,48-49H,17-20,23-24,27-28H2/t37-,38-,43+,44+/m1/s1
InChiKey RLJQWYVDXNSZRV-PRQNBZSOSA-N
Formula C45H42N2O7 Molecular Weight 722.82
Cross Link CHEMBL284329
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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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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