CFam Chemical Families Database
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You are searching for "CFAMM00433555" 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 CFAMM00433555
Family CFFBM15343 Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSBM6578 Renin and Cathepsin E Binder Superfamily
Class CFCID94 Class 1444
External ID CHEMBL73932 External Source CHEMBL
PubChem CID 44313116 Functional Category Bioactive
Molecule Name tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-7-methyloctan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-7-methyloctan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:217663
InChi InChI=1S/C35H55N5O6/c1-23(2)16-17-30(41)31(42)27(18-24-12-8-6-9-13-24)38-33(44)29(20-26-21-36-22-37-26)39-32(43)28(19-25-14-10-7-11-15-25)40-34(45)46-35(3,4)5/h7,10-11,14-15,21-24,26-31,41-42H,6,8-9,12-13,16-20H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t26?,27-,28?,29?,30?,31+/m0/s1
InChiKey QZPOFYUYPOBPNH-AJEFELDOSA-N
Formula C35H55N5O6 Molecular Weight 641.84
Cross Link CHEMBL73932
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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