CFam Chemical Families Database
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You are searching for "CFAMM00454435" in compound.

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CFAM Mol ID CFAMM00454435
Family CFFBM20062 Prothrombin inhibitor N-[(1S)-2-[4-(2-fluoroethyl)piperidin-1-yl]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide family
Superfamily CFSBM5379 Prothrombin and Pol polyprotein Binder Superfamily 2
Class CFCAD85 Class 85
External ID CHEMBL13265 External Source CHEMBL
PubChem CID 44268361 Functional Category Bioactive
Molecule Name N-[(1S)-1-(3,4-dihydroxyphenyl)-2-[4-(2-fluoroethyl)piperidin-1-yl]-2-oxoethyl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
IUPAC Name N-[(1S)-1-(3,4-dihydroxyphenyl)-2-[4-(2-fluoroethyl)piperidin-1-yl]-2-oxoethyl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
Synonyms CHEBI:111538
InChi InChI=1S/C29H35FN4O6S/c30-12-8-20-10-14-34(15-11-20)29(38)28(22-6-7-25(36)26(37)17-22)33-41(39,40)27-18-31-13-9-24(27)32-23(19-35)16-21-4-2-1-3-5-21/h1-7,9,13,17-18,20,23,28,33,35-37H,8,10-12,14-16,19H2,(H,31,32)/t23-,28-/m0/s1
InChiKey QHBLSLXEBBCVQB-FIPFOOKPSA-N
Formula C29H35FN4O6S Molecular Weight 586.67
Cross Link CHEMBL13265
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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