CFAM Mol ID	CFAMM00323765
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	CHEMBL115378	External Source	CHEMBL
PubChem CID	44343852	Functional Category	Bioactive
Molecule Name	benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-(isoquinoline-1-carbonylamino)-1-oxobutan-2-yl]carbamate
IUPAC Name	benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-(isoquinoline-1-carbonylamino)-1-oxobutan-2-yl]carbamate
Synonyms	CHEBI:292059
InChi	InChI=1S/C30H36N8O6/c31-29(32)38-16-6-11-23(28(38)42)36-24(39)17-35-26(40)22(37-30(43)44-18-19-7-2-1-3-8-19)13-15-34-27(41)25-21-10-5-4-9-20(21)12-14-33-25/h1-5,7-10,12,14,22-23,28,42H,6,11,13,15-18H2,(H3,31,32)(H,34,41)(H,35,40)(H,36,39)(H,37,43)/t22-,23+,28?/m1/s1
InChiKey	JCPAEYOQOCMVAW-UNFSCDGZSA-N
Formula	C30H36N8O6	Molecular Weight	604.66
Cross Link	CHEMBL115378
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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