CFam Chemical Families Database
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You are searching for "CFAMM00006993" 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 CFAMM00006993
Family CFFAD24 Beta adrenergic receptor ligand monosubstituted indole derivative Pindolol family
Superfamily CFSAD24 Beta adrenergic receptor ligand monosubstituted indole derivative Pindolol Superfamily
Class CFCAD24 Class 24
External ID CHEMBL56795 External Source CHEMBL
PubChem CID 44299729 Functional Category Bioactive
Molecule Name (2S)-1-(1H-indol-4-yloxy)-3-[4-(4-methoxy-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
IUPAC Name (2S)-1-(1H-indol-4-yloxy)-3-[4-(4-methoxy-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
Synonyms CHEBI:187769
InChi InChI=1S/C25H28N2O3S/c1-29-22-5-3-7-24-20(22)14-25(31-24)17-9-12-27(13-10-17)15-18(28)16-30-23-6-2-4-21-19(23)8-11-26-21/h2-8,11,14,17-18,26,28H,9-10,12-13,15-16H2,1H3/t18-/m0/s1
InChiKey XTXWKNNMEGRBTM-SFHVURJKSA-N
Formula C25H28N2O3S Molecular Weight 436.57
Cross Link CHEMBL56795
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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