CFam Chemical Families Database
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You are searching for "CFAMM00101882" 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 CFAMM00101882
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID DAP001140 External Source TTD
PubChem CID 5488548 Functional Category Approved Drug
Molecule Name Alvimopan
IUPAC Name 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
Synonyms Entereg;156053-89-3;Adl 8-2698;Alvimopan anhydrous;UNII-Q153V49P3Z;LY 246736;LY246736;AC1NUQN6;trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine;CHEMBL270190
InChi InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
InChiKey UPNUIXSCZBYVBB-JVFUWBCBSA-N
Formula C25H32N2O4 Molecular Weight 424.53
Cross Link CHEMBL270190 DB06274
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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