CFam Chemical Families Database
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You are searching for "CFAMM00101539" 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 CFAMM00101539
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL328135 External Source CHEMBL
PubChem CID 44325612 Functional Category Bioactive
Molecule Name (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
IUPAC Name (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
Synonyms CHEBI:250635
InChi InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
InChiKey HICLVBHTXPRGHR-OZBJMMHXSA-N
Formula C21H26N2O3 Molecular Weight 354.44
Cross Link CHEMBL328135
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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