CFam Chemical Families Database
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You are searching for "CFAMM00168840" in compound.

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CFAM Mol ID CFAMM00168840
Family CFFCD692 ABC294640 family
Superfamily CFSCD616 ABC294640 Superfamily
Class CFCCD100 Class 913
External ID CHEMBL197541 External Source CHEMBL
PubChem CID 44405377 Functional Category Bioactive
Molecule Name 2-amino-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[1-[[(2-phenylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]-3-pyridin-4-ylpropanamide
IUPAC Name 2-amino-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[1-[[(2-phenylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]-3-pyridin-4-ylpropanamide
Synonyms CHEBI:433002
InChi InChI=1S/C36H45ClN6O3/c37-30-11-9-28(10-12-30)24-32(41-34(45)31(38)23-29-13-17-39-18-14-29)35(46)42-19-21-43(22-20-42)36(15-5-2-6-16-36)26-40-33(44)25-27-7-3-1-4-8-27/h1,3-4,7-14,17-18,31-32H,2,5-6,15-16,19-26,38H2,(H,40,44)(H,41,45)/t31?,32-/m1/s1
InChiKey OWPZMDOJHYYKAP-IADGFXSZSA-N
Formula C36H45ClN6O3 Molecular Weight 645.23
Cross Link CHEMBL197541
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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