CFam Chemical Families Database
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You are searching for "CFAMM00439397" in compound.

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CFAM Mol ID CFAMM00439397
Family CFFBM16806 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 inhibitor 3-[[(4R,5S)-5-amino-4-(3,4,5-trifluorophenyl)cyclohexen-1-yl]methoxy]benzamide;2,2,2-trifluoroacetic acid family
Superfamily CFSBM2955 Substance-P receptor and Renin Binder Superfamily
Class CFCID419 Class 1769
External ID CHEMBL410514 External Source CHEMBL
PubChem CID 49797175 Functional Category Bioactive
Molecule Name 3-[[(4R,5S)-5-amino-4-(3,4,5-trifluorophenyl)cyclohexen-1-yl]methoxy]benzamide;2,2,2-trifluoroacetic acid
IUPAC Name 3-[[(4R,5S)-5-amino-4-(3,4,5-trifluorophenyl)cyclohexen-1-yl]methoxy]benzamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C20H19F3N2O2.C2HF3O2/c21-16-8-13(9-17(22)19(16)23)15-5-4-11(6-18(15)24)10-27-14-3-1-2-12(7-14)20(25)26;3-2(4,5)1(6)7/h1-4,7-9,15,18H,5-6,10,24H2,(H2,25,26);(H,6,7)/t15-,18+;/m1./s1
InChiKey JLNHCNADJOWFGY-CFILVAQYSA-N
Formula C22H20F6N2O4 Molecular Weight 490.40
Cross Link CHEMBL410514
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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