CFam Chemical Families Database
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You are searching for "CFAMM00112549" 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 CFAMM00112549
Family CFFAD909 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Family
Superfamily CFSAD765 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Superfamily
Class CFCAD682 Class 682
External ID CHEMBL96471 External Source CHEMBL
PubChem CID 44326433 Functional Category Bioactive
Molecule Name CHEMBL96471
IUPAC Name
Synonyms CHEBI:252510
InChi InChI=1S/C29H31NO/c1-2-8-21(9-3-1)22-14-16-30(17-15-22)20-25-19-28-26-12-6-4-10-23(26)18-24-11-5-7-13-27(24)29(28)31-25/h1-13,22,25,28-29H,14-20H2/t25?,28-,29-/m1/s1
InChiKey NTBSVMCWAHSWAK-YLOCQQLVSA-N
Formula C29H31NO Molecular Weight 409.56
Cross Link CHEMBL96471
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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