CFam Chemical Families Database
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You are searching for "CFAMM00410446" in compound.

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CFAM Mol ID CFAMM00410446
Family CFFBM11563 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor Diazepanone Analog 25 family
Superfamily CFSAD314 Sodium channel protein type 5 subunit alpha Ligand Disopyramide Superfamily
Class CFCAD295 Class 295
External ID CHEMBL2021529 External Source CHEMBL
PubChem CID 70681315 Functional Category Bioactive
Molecule Name (3R)-3-amino-1-[(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
IUPAC Name (3R)-3-amino-1-[(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
Synonyms
InChi InChI=1S/C19H19F6N3O.ClH/c1-10-8-27(9-13-2-3-17(28(10)13)19(23,24)25)18(29)6-12(26)4-11-5-15(21)16(22)7-14(11)20;/h2-3,5,7,10,12H,4,6,8-9,26H2,1H3;1H/t10-,12-;/m1./s1
InChiKey DGUSPDGFELZGSG-MHDYBILJSA-N
Formula C19H20ClF6N3O Molecular Weight 455.83
Cross Link CHEMBL2021529
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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