CFam Chemical Families Database
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You are searching for "CFAMM00165023" 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 CFAMM00165023
Family CFFCD562 RAC-gamma serine/threonine-protein kinase Inhibitor GDC-0068 Family
Superfamily CFSCD512 RAC-gamma serine/threonine-protein kinase Inhibitor GDC-0068 Superfamily
Class CFCCD360 Class 1173
External ID CHEMBL2177367 External Source CHEMBL
PubChem CID 59671148 Functional Category Bioactive
Molecule Name (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(4-methoxycyclohexyl)amino]propan-1-one
IUPAC Name (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(4-methoxycyclohexyl)amino]propan-1-one
Synonyms SureCN191553
InChi InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
InChiKey IHLLUUVHYRQMCS-YHBXUWTPSA-N
Formula C28H38ClN5O3 Molecular Weight 528.09
Cross Link CHEMBL2177367
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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