CFam Chemical Families Database
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You are searching for "CFAMM00405216" in compound.

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CFAM Mol ID CFAMM00405216
Family CFFBM10893 Dipeptidyl peptidase 4 inhibitor 2-cyanopyrrolidine 21e family
Superfamily CFSBM578 Histamine H3 receptor and Dipeptidyl peptidase 4 Binder Superfamily
Class CFCAD412 Class 412
External ID CHEMBL377390 External Source CHEMBL
PubChem CID 11232890 Functional Category Bioactive
Molecule Name 2-cyanopyrrolidine 21i
IUPAC Name (2S)-1-[(2S,5R)-5-[(2-chlorophenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
Synonyms SureCN5373116
InChi InChI=1S/C17H20ClN3O2/c18-14-5-1-2-6-16(14)23-11-12-7-8-15(20-12)17(22)21-9-3-4-13(21)10-19/h1-2,5-6,12-13,15,20H,3-4,7-9,11H2/t12-,13+,15+/m1/s1
InChiKey DTSZQBAFUITGDQ-IPYPFGDCSA-N
Formula C17H20ClN3O2 Molecular Weight 333.81
Cross Link CHEMBL377390
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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