CFam Chemical Families Database
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You are searching for "CFAMM00393829" in compound.

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CFAM Mol ID CFAMM00393829
Family CFFBM9230 C-X-C chemokine receptor type 3 ligand 5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-propan-2-ylpyrazine-2-carboxamide family
Superfamily CFSBM1030 Coagulation factor X and C-X-C chemokine receptor type 3 Binder Superfamily
Class CFCID987 Class 2337
External ID CHEMBL1921884 External Source CHEMBL
PubChem CID 57394300 Functional Category Bioactive
Molecule Name 5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrazine-2-carboxamide
IUPAC Name 5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-(trifluoromethyl)pyrazine-2-carboxamide
Synonyms
InChi InChI=1S/C26H32ClF3N8O2/c1-2-16-14-37(23-21(26(28,29)30)34-19(13-32-23)24(39)33-15-3-4-15)11-12-38(16)17-7-9-36(10-8-17)25(40)18-5-6-20(27)35-22(18)31/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H2,31,35)(H,33,39)/t16-/m0/s1
InChiKey YMASBDCSTMYTAD-INIZCTEOSA-N
Formula C26H32ClF3N8O2 Molecular Weight 581.03
Cross Link CHEMBL1921884
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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