CFam Chemical Families Database
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You are searching for "CFAMM00385869" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00385869
Family CFFBM8141 Pol polyprotein inhibitor 3-[(4R,5R,6R)-3-[3-[(E)-1-amino-2-hydroxyethenyl]phenyl]-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]-N'-hydroxybenzenecarboximidamide family
Superfamily CFSBM810 Pol polyprotein Binder Superfamily 13
Class CFCBM317 Class 3367
External ID CHEMBL416783 External Source CHEMBL
PubChem CID 5327564 Functional Category Bioactive
Molecule Name AC1NS2LR
IUPAC Name 3-[[(4R,5R,6R)-3-[(3-aminophenyl)methyl]-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
Synonyms Tetrahydropyrimidinone deriv. 98;(4R,5R,6R)-Tetrahydro-1-(3-aminobenzyl)-3-[(3-(N-hydroxycarboximidamide)phenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone;3-[[(4R,5R,6R)-3-[(3-aminophenyl)methyl]-4-benzyl-5-hydroxy-2-oxo-6-phenethyl-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
InChi InChI=1S/C34H37N5O3/c35-29-16-8-14-27(20-29)23-39-31(21-25-11-5-2-6-12-25)32(40)30(18-17-24-9-3-1-4-10-24)38(34(39)41)22-26-13-7-15-28(19-26)33(36)37-42/h1-16,19-20,30-32,40,42H,17-18,21-23,35H2,(H2,36,37)/t30-,31-,32-/m1/s1
InChiKey OIIBJJOGEBWRPK-XWHIBYANSA-N
Formula C34H37N5O3 Molecular Weight 563.69
Cross Link CHEMBL416783
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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