CFam Chemical Families Database
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You are searching for "CFAMM00396168" in compound.

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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 CFAMM00396168
Family CFFBM9525 Prothrombin inhibitor SureCN6925359 family
Superfamily CFSBM2286 Cruzipain and Prothrombin Binder Superfamily 2
Class CFCCD161 Class 974
External ID CHEMBL198978 External Source CHEMBL
PubChem CID 10324635 Functional Category Bioactive
Molecule Name SureCN6929744
IUPAC Name N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
Synonyms CHEBI:429837
InChi InChI=1S/C29H30ClN7O/c30-23-9-10-25(37-20-31-19-34-37)22(16-23)17-27-35-28-26(38-27)12-14-33-29(28)32-13-11-24-8-4-5-15-36(24)18-21-6-2-1-3-7-21/h1-3,6-7,9-10,12,14,16,19-20,24H,4-5,8,11,13,15,17-18H2,(H,32,33)
InChiKey ANKIJLVYTUKGJM-UHFFFAOYSA-N
Formula C29H30ClN7O Molecular Weight 528.05
Cross Link CHEMBL198978
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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