CFam Chemical Families Database
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You are searching for "CFAMM00387757" in compound.

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CFAM Mol ID CFAMM00387757
Family CFFBM8423 72 kDa type IV collagenase and Matrix metalloproteinase-9 inhibitor 5-(4-methylpiperazin-1-yl)-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione family
Superfamily CFSBM4513 Matrix metalloproteinase-9 and 72 kDa type IV collagenase Binder Superfamily 7
Class CFCID107 Class 1457
External ID CHEMBL1812937 External Source CHEMBL
PubChem CID 56679767 Functional Category Bioactive
Molecule Name 5-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
IUPAC Name 5-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
Synonyms AGN-PC-0BFUBY;5-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
InChi InChI=1S/C29H34N4O5/c34-25(16-11-21-7-4-5-8-21)32-17-6-18-33(20-19-32)29(26(35)30-28(37)31-27(29)36)22-12-14-24(15-13-22)38-23-9-2-1-3-10-23/h1-3,9-10,12-15,21H,4-8,11,16-20H2,(H2,30,31,35,36,37)
InChiKey ZTHKEEDWHVZQDO-UHFFFAOYSA-N
Formula C29H34N4O5 Molecular Weight 518.60
Cross Link CHEMBL1812937
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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