CFam Chemical Families Database
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You are searching for "CFAMM00381957" 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 CFAMM00381957
Family CFFBM7649 Histamine H1 receptor ligand Ahr 5333 family
Superfamily CFSID420 Sodium- and chloride-dependent GABA transporter 3 Inhibitor SNAP-5114 Superfamily
Class CFCAD719 Class 719
External ID CHEMBL555593 External Source CHEMBL
PubChem CID 45259377 Functional Category Bioactive
Molecule Name AGN-PC-07BYA3
IUPAC Name ethyl 4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate;hydrochloride
Synonyms SureCN10557968;ethyl 4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate;hydrochloride
InChi InChI=1S/C30H33F2NO4.ClH/c1-2-36-29(34)22-4-14-28(15-5-22)37-21-3-18-33-19-16-25(17-20-33)30(35,23-6-10-26(31)11-7-23)24-8-12-27(32)13-9-24;/h4-15,25,35H,2-3,16-21H2,1H3;1H
InChiKey MFIUJSFVBYSORD-UHFFFAOYSA-N
Formula C30H34ClF2NO4 Molecular Weight 546.05
Cross Link CHEMBL555593
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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