CFAM Mol ID	CFAMM00323764
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	CHEMBL420688	External Source	CHEMBL
PubChem CID	44343615	Functional Category	Bioactive
Molecule Name	N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]pyrazine-2-carboxamide
IUPAC Name	N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]pyrazine-2-carboxamide
Synonyms	CHEBI:291568
InChi	InChI=1S/C24H33N9O6S/c25-24(26)33-12-4-7-18(23(33)37)31-20(34)14-30-21(35)17(8-9-29-22(36)19-13-27-10-11-28-19)32-40(38,39)15-16-5-2-1-3-6-16/h1-3,5-6,10-11,13,17-18,23,32,37H,4,7-9,12,14-15H2,(H3,25,26)(H,29,36)(H,30,35)(H,31,34)/t17-,18+,23?/m1/s1
InChiKey	ZVMIBRXPFVHASQ-BATLZEKGSA-N
Formula	C24H33N9O6S	Molecular Weight	575.64
Cross Link	CHEMBL420688
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

48700 visits since 2014 .........

Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.