CFam Chemical Families Database
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You are searching for "CFAMM00440489" in compound.

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CFAM Mol ID CFAMM00440489
Family CFFBM17086 Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor CHEMBL437064 family
Superfamily CFSBM6307 Peptidyl-prolyl cis-trans isomerase FKBP1A and Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform Binder Superfamily
Class CFCAD128 Class 128
External ID CHEMBL2057227 External Source CHEMBL
PubChem CID 70694757 Functional Category Bioactive
Molecule Name [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[2-[(1S,2R)-1-hydroxy-2-methylcyclohexyl]-2-oxoacetyl]piperidine-2-carboxylate
IUPAC Name [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[2-[(1S,2R)-1-hydroxy-2-methylcyclohexyl]-2-oxoacetyl]piperidine-2-carboxylate
Synonyms
InChi InChI=1S/C38H52N2O9/c1-27-9-4-6-17-38(27,44)35(41)36(42)40-18-7-5-12-31(40)37(43)49-32(15-13-28-14-16-33(45-2)34(25-28)46-3)29-10-8-11-30(26-29)48-24-21-39-19-22-47-23-20-39/h8,10-11,14,16,25-27,31-32,44H,4-7,9,12-13,15,17-24H2,1-3H3/t27-,31+,32-,38+/m1/s1
InChiKey GESFSDKPJMZHMK-BWOAWPSSSA-N
Formula C38H52N2O9 Molecular Weight 680.83
Cross Link CHEMBL2057227
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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