CFam Chemical Families Database
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You are searching for "CFAMM00235978" 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.

Search Results

CFAM Mol ID CFAMM00235978
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 CHEMBL309614 External Source CHEMBL
PubChem CID 23293552 Functional Category Bioactive
Molecule Name AGN-PC-040TBX
IUPAC Name 2-(azepan-1-ylmethyl)-4-[2-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]-5-(dibenzylamino)pentan-2-yl]phenol
Synonyms SureCN7379835;CHEBI:229872;2-(azepan-1-ylmethyl)-4-[2-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]-5-(dibenzylamino)pentan-2-yl]phenol
InChi InChI=1S/C45H59N3O2/c1-45(41-21-23-43(49)39(31-41)35-46-26-12-2-3-13-27-46,42-22-24-44(50)40(32-42)36-47-28-14-4-5-15-29-47)25-16-30-48(33-37-17-8-6-9-18-37)34-38-19-10-7-11-20-38/h6-11,17-24,31-32,49-50H,2-5,12-16,25-30,33-36H2,1H3
InChiKey UEIMMISDNLYGEC-UHFFFAOYSA-N
Formula C45H59N3O2 Molecular Weight 673.97
Cross Link CHEMBL309614
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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