CFam Chemical Families Database
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You are searching for "CFAMM00334376" in compound.

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CFAM Mol ID CFAMM00334376
Family CFFBM2449 Cytochrome P450 3A4 and Beta-secretase 1 inhibitor N-[(2S,3R)-4-[[1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM1347 Beta-secretase 1 and Cathepsin D Binder Superfamily 2
Class CFCBM500 Class 3550
External ID CHEMBL1269841 External Source CHEMBL
PubChem CID 52942282 Functional Category Bioactive
Molecule Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[4-[3-(oxolan-3-yl)phenyl]oxan-4-yl]amino]butan-2-yl]acetamide
IUPAC Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[4-[3-(oxolan-3-yl)phenyl]oxan-4-yl]amino]butan-2-yl]acetamide
Synonyms CHEBI:809077
InChi InChI=1S/C27H34F2N2O4/c1-18(32)31-25(13-19-11-23(28)15-24(29)12-19)26(33)16-30-27(6-9-34-10-7-27)22-4-2-3-20(14-22)21-5-8-35-17-21/h2-4,11-12,14-15,21,25-26,30,33H,5-10,13,16-17H2,1H3,(H,31,32)/t21?,25-,26+/m0/s1
InChiKey KBLUIKVYUUMQFP-PBTPRMJDSA-N
Formula C27H34F2N2O4 Molecular Weight 488.57
Cross Link CHEMBL1269841
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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