CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00113807" in compound.

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CFAM Mol ID CFAMM00113807
Family CFFAD940 Prothrombin Inhibitor Ximelegatran Family
Superfamily CFSAD791 Prothrombin Inhibitor Ximelegatran Superfamily
Class CFCAD705 Class 705
External ID CHEMBL191858 External Source CHEMBL
PubChem CID 49797062 Functional Category Bioactive
Molecule Name (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-pyridin-2-ylphenyl)butan-1-one;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-pyridin-2-ylphenyl)butan-1-one;2,2,2-trifluoroacetic acid
InChi InChI=1S/C19H22FN3O.C2HF3O2/c1-13(18(21)19(24)23-11-9-16(20)12-23)14-5-7-15(8-6-14)17-4-2-3-10-22-17;3-2(4,5)1(6)7/h2-8,10,13,16,18H,9,11-12,21H2,1H3;(H,6,7)/t13-,16-,18-;/m0./s1
Formula C21H23F4N3O3 Molecular Weight 441.42
Cross Link CHEMBL191858

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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