CFam Chemical Families Database
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You are searching for "CFAMM00047761" 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 CFAMM00047761
Family CFFAD295 Muscarinic acetylcholine receptor M3 Ligand Tolterodine Family
Superfamily CFSAD260 Muscarinic acetylcholine receptor M3 Ligand Tolterodine Superfamily
Class CFCAD248 Class 248
External ID CHEMBL386531 External Source CHEMBL
PubChem CID 44415132 Functional Category Bioactive
Molecule Name 4-[(2S)-3-(benzylamino)-2-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-methylamino]propyl]phenol
IUPAC Name 4-[(2S)-3-(benzylamino)-2-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-methylamino]propyl]phenol
Synonyms CHEBI:456258
InChi InChI=1S/C28H37N3O2/c1-30(2)26(18-23-11-15-28(33)16-12-23)21-31(3)25(17-22-9-13-27(32)14-10-22)20-29-19-24-7-5-4-6-8-24/h4-16,25-26,29,32-33H,17-21H2,1-3H3/t25-,26-/m0/s1
InChiKey MJDQOGYOQPSRQW-UIOOFZCWSA-N
Formula C28H37N3O2 Molecular Weight 447.61
Cross Link CHEMBL386531
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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