CFam Chemical Families Database
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You are searching for "CFAMM00376957" 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 CFAMM00376957
Family CFFBM7077 Prothrombin inhibitor SureCN6594996 family
Superfamily CFSBM4025 Prothrombin and Pol polyprotein Binder Superfamily
Class CFCAD286 Class 286
External ID CHEMBL164246 External Source CHEMBL
PubChem CID 21182636 Functional Category Bioactive
Molecule Name SureCN7772398
IUPAC Name 2-[4-(2-aminoethyl)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol
Synonyms CHEBI:375918;AGN-PC-037815;2-[4-(2-aminoethyl)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol
InChi InChI=1S/C29H32N2O2S/c1-33-27-17-21(6-9-23(27)19-31-14-2-3-15-31)16-26-25-11-10-24(32)18-28(25)34-29(26)22-7-4-20(5-8-22)12-13-30/h4-11,17-18,32H,2-3,12-16,19,30H2,1H3
InChiKey LHTKTQNAKFPACM-UHFFFAOYSA-N
Formula C29H32N2O2S Molecular Weight 472.64
Cross Link CHEMBL164246
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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