CFam Chemical Families Database
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You are searching for "CFAMM00429111" in compound.

Total 1 results found.

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 CFAMM00429111
Family CFFBM14574 C-C chemokine receptor type 2 ligand AGN-PC-03L0X5 family
Superfamily CFSBM1714 C-C chemokine receptor type 2 and Menin Binder Superfamily
Class CFCBM666 Class 3716
External ID CHEMBL449672 External Source CHEMBL
PubChem CID 22143346 Functional Category Bioactive
Molecule Name SureCN3894172
IUPAC Name N-[2-[[2-[[4-[(4-methylsulfanylphenyl)methylamino]-1-propylpiperidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Synonyms AGN-PC-03L10W;CHEBI:593617;N-[2-[[2-[[4-[(4-methylsulfanylphenyl)methylamino]-1-propylpiperidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
InChi InChI=1S/C31H41F3N6O3S/c1-3-13-39-16-12-26(35-18-21-6-9-23(44-2)10-7-21)27(20-39)37-28(41)19-36-29(42)24-17-22(31(32,33)34)8-11-25(24)38-30(43)40-14-4-5-15-40/h6-11,17,26-27,35H,3-5,12-16,18-20H2,1-2H3,(H,36,42)(H,37,41)(H,38,43)
InChiKey JGMQOJSHZALBEB-UHFFFAOYSA-N
Formula C31H41F3N6O3S Molecular Weight 634.76
Cross Link CHEMBL449672
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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