CFam Chemical Families Database
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You are searching for "CFAMM00269531" in compound.

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CFAM Mol ID CFAMM00269531
Family CFFID2501 Dipeptidyl peptidase 4 Inhibitor (5-phenyl-3h-benzo[d]imidazol-4-yl)methanamine Family
Superfamily CFSID1810 Dipeptidyl peptidase 4 Inhibitor (5-phenyl-3h-benzo[d]imidazol-4-yl)methanamine Superfamily
Class CFCAD667 Class 667
External ID CHEMBL214019 External Source CHEMBL
PubChem CID 44417863 Functional Category Bioactive
Molecule Name 5,6-difluoro-N-[(1R,3R,6S)-6-[3-[(E)-methoxyiminomethyl]phenyl]-3-bicyclo[4.1.0]heptanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-benzimidazol-2-amine
IUPAC Name 5,6-difluoro-N-[(1R,3R,6S)-6-[3-[(E)-methoxyiminomethyl]phenyl]-3-bicyclo[4.1.0]heptanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-benzimidazol-2-amine
Synonyms CHEBI:463168
InChi InChI=1S/C30H38F2N6O/c1-36-11-13-37(14-12-36)9-4-10-38(29-34-27-17-25(31)26(32)18-28(27)35-29)24-7-8-30(19-23(30)16-24)22-6-3-5-21(15-22)20-33-39-2/h3,5-6,15,17-18,20,23-24H,4,7-14,16,19H2,1-2H3,(H,34,35)/b33-20+/t23-,24+,30+/m0/s1
InChiKey DCXKBEUXVLUXJH-IMDNPUKISA-N
Formula C30H38F2N6O Molecular Weight 536.66
Cross Link CHEMBL214019
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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