CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00101567" 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 CFAMM00101567
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL108808 External Source CHEMBL
PubChem CID 44338484 Functional Category Bioactive
Molecule Name (2S)-2-amino-N-[6-[[(2R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]hexyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
IUPAC Name (2S)-2-amino-N-[6-[[(2R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]hexyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Synonyms CHEBI:278971
InChi InChI=1S/C28H42N4O4/c1-17-11-21(33)12-18(2)23(17)15-25(29)27(35)31-9-7-5-6-8-10-32-28(36)26(30)16-24-19(3)13-22(34)14-20(24)4/h11-14,25-26,33-34H,5-10,15-16,29-30H2,1-4H3,(H,31,35)(H,32,36)/t25-,26+
InChiKey RRGJXNYBDGUXGY-WMPKNSHKSA-N
Formula C28H42N4O4 Molecular Weight 498.66
Cross Link CHEMBL108808
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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