CFam Chemical Families Database
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You are searching for "CFAMM00183457" in compound.

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CFAM Mol ID CFAMM00183457
Family CFFID188 Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL2440930 External Source CHEMBL
PubChem CID 73357162 Functional Category Bioactive
Molecule Name (2R)-5-[[amino-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
IUPAC Name (2R)-5-[[amino-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C34H45N7O6.C2HF3O2/c35-17-20-46-22-23-47-21-19-38-34(45)41-33(36)37-18-7-12-29(31(43)39-24-25-13-15-28(42)16-14-25)40-32(44)30(26-8-3-1-4-9-26)27-10-5-2-6-11-27;3-2(4,5)1(6)7/h1-6,8-11,13-16,29-30,42H,7,12,17-24,35H2,(H,39,43)(H,40,44)(H4,36,37,38,41,45);(H,6,7)/t29-;/m1./s1
InChiKey JXFDXGIWTUPDDW-XXIQNXCHSA-N
Formula C36H46F3N7O8 Molecular Weight 761.79
Cross Link CHEMBL2440930
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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