CFam Chemical Families Database
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You are searching for "CFAMM00235986" 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 CFAMM00235986
Family CFFID1334 Acetylcholinesterase and Cholinesterase Inhibitor N,n'-(1',10'-decylene)-bis-(-)-nor-mep Family
Superfamily CFSAD861 Opioid receptor ligand Tapentadol Superfamily
Class CFCAD62 Class 62
External ID CHEMBL84404 External Source CHEMBL
PubChem CID 10439014 Functional Category Bioactive
Molecule Name SureCN7379742
IUPAC Name 2-(azepan-1-ylmethyl)-4-[2-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]-5,5-diphenylpentan-2-yl]phenol
Synonyms CHEBI:230012
InChi InChI=1S/C43H54N2O2/c1-43(25-24-40(34-16-8-6-9-17-34)35-18-10-7-11-19-35,38-20-22-41(46)36(30-38)32-44-26-12-2-3-13-27-44)39-21-23-42(47)37(31-39)33-45-28-14-4-5-15-29-45/h6-11,16-23,30-31,40,46-47H,2-5,12-15,24-29,32-33H2,1H3
InChiKey VKGJEYTUAKCDPJ-UHFFFAOYSA-N
Formula C43H54N2O2 Molecular Weight 630.90
Cross Link CHEMBL84404
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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