CFam Chemical Families Database
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You are searching for "CFAMM00376954" 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 CFAMM00376954
Family CFFBM7077 Prothrombin inhibitor SureCN6594996 family
Superfamily CFSBM4025 Prothrombin and Pol polyprotein Binder Superfamily
Class CFCAD286 Class 286
External ID CHEMBL18516 External Source CHEMBL
PubChem CID 21182884 Functional Category Bioactive
Molecule Name SureCN7443786
IUPAC Name 3-[[3-(aminomethyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol
Synonyms AGN-PC-03786N;CHEBI:121986;3-[[3-(aminomethyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol
InChi InChI=1S/C33H39N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,22-23,34H2
InChiKey YJQFUOPHSUCEMH-UHFFFAOYSA-N
Formula C33H39N3O2S Molecular Weight 541.75
Cross Link CHEMBL18516
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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