CFam Chemical Families Database
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You are searching for "CFAMM00454096" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00454096
Family CFFBM20012 Coagulation factor X inhibitor JTV-803 free base family
Superfamily CFSBM7775 Coagulation factor X Binder Superfamily 12
Class CFCBM379 Class 3429
External ID CHEMBL535143 External Source CHEMBL
PubChem CID 11306788 Functional Category Bioactive
Molecule Name SureCN6193373
IUPAC Name 3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]propanoic acid;dihydrochloride
Synonyms AGN-PC-006G2W;3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]propanoic acid;dihydrochloride
InChi InChI=1S/C24H31N5O3.2ClH/c25-24(26)29-12-8-18-1-3-21(13-20(18)15-29)32-16-17-6-10-28(11-7-17)22-5-9-27-14-19(22)2-4-23(30)31;;/h1,3,5,9,13-14,17H,2,4,6-8,10-12,15-16H2,(H3,25,26)(H,30,31);2*1H
InChiKey XSMQIGZOPCQFLS-UHFFFAOYSA-N
Formula C24H33Cl2N5O3 Molecular Weight 510.46
Cross Link CHEMBL535143
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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