CFam Chemical Families Database
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You are searching for "CFAMM00303988" in compound.

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CFAM Mol ID CFAMM00303988
Family CFFID4194 Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 311440 Family
Superfamily CFSAD675 Serum albumin Inhibitor Gadobenate Dimeglumine Superfamily
Class CFCAD610 Class 610
External ID CHEMBL1085981 External Source CHEMBL
PubChem CID 46891136 Functional Category Bioactive
Molecule Name methyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(3-methyl-6-oxo-2-pentyl-2,3-dihydropyran-5-carbonyl)amino]propanoyl]amino]-2-oxo-4-phenylmethoxybutanoyl]amino]acetate
IUPAC Name methyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(3-methyl-6-oxo-2-pentyl-2,3-dihydropyran-5-carbonyl)amino]propanoyl]amino]-2-oxo-4-phenylmethoxybutanoyl]amino]acetate
Synonyms CHEBI:733242
InChi InChI=1S/C35H49N3O9/c1-4-5-8-17-29-23(2)18-26(35(44)47-29)32(41)37-27(19-24-13-9-6-10-14-24)33(42)38-28(22-46-21-25-15-11-7-12-16-25)31(40)34(43)36-20-30(39)45-3/h7,11-12,15-16,18,23-24,27-29H,4-6,8-10,13-14,17,19-22H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)/t23?,27-,28?,29?/m0/s1
InChiKey BWKIVUQLJBPTNN-ZGJYJMBDSA-N
Formula C35H49N3O9 Molecular Weight 655.78
Cross Link CHEMBL1085981
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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