CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00113806" in compound.

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CFAM Mol ID CFAMM00113806
Family CFFAD940 Prothrombin Inhibitor Ximelegatran Family
Superfamily CFSAD791 Prothrombin Inhibitor Ximelegatran Superfamily
Class CFCAD705 Class 705
External ID CHEMBL562467 External Source CHEMBL
PubChem CID 45267530 Functional Category Bioactive
Molecule Name (3R)-3-amino-1-[(2S)-2-[[[6-(trifluoromethyl)pyridin-3-yl]amino]methyl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
IUPAC Name (3R)-3-amino-1-[(2S)-2-[[[6-(trifluoromethyl)pyridin-3-yl]amino]methyl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
Synonyms CHEBI:655431
InChi InChI=1S/C21H22F6N4O/c22-16-9-18(24)17(23)7-12(16)6-13(28)8-20(32)31-5-1-2-15(31)11-29-14-3-4-19(30-10-14)21(25,26)27/h3-4,7,9-10,13,15,29H,1-2,5-6,8,11,28H2/t13-,15+/m1/s1
Formula C21H22F6N4O Molecular Weight 460.42
Cross Link CHEMBL562467

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).

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