CFam Chemical Families Database
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You are searching for "CFAMM00323767" in compound.

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CFAM Mol ID CFAMM00323767
Family CFFBM1459 Coagulation factor X and Trypsin-1 inhibitor N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]isoquinoline-1-carboxamide family
Superfamily CFSBM835 Trypsin-1 and Coagulation factor X Binder Superfamily 2
Class CFCAD189 Class 189
External ID CHEMBL115707 External Source CHEMBL
PubChem CID 44343972 Functional Category Bioactive
Molecule Name benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-[(5-methylpyrazine-2-carbonyl)amino]-1-oxobutan-2-yl]carbamate
IUPAC Name benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-[(5-methylpyrazine-2-carbonyl)amino]-1-oxobutan-2-yl]carbamate
Synonyms CHEBI:292353
InChi InChI=1S/C26H35N9O6/c1-16-12-31-20(13-30-16)23(38)29-10-9-18(34-26(40)41-15-17-6-3-2-4-7-17)22(37)32-14-21(36)33-19-8-5-11-35(24(19)39)25(27)28/h2-4,6-7,12-13,18-19,24,39H,5,8-11,14-15H2,1H3,(H3,27,28)(H,29,38)(H,32,37)(H,33,36)(H,34,40)/t18-,19+,24?/m1/s1
InChiKey JXPPFBLPIXIHCM-WEAPTXNRSA-N
Formula C26H35N9O6 Molecular Weight 569.61
Cross Link CHEMBL115707
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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National University of Singapore, Singapore


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