CFam Chemical Families Database
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You are searching for "CFAMM00402192" in compound.

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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 CFAMM00402192
Family CFFBM10442 Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM5174 Beta-secretase 1 and Cathepsin D Binder Superfamily 4
Class CFCAD284 Class 284
External ID CHEMBL2151316 External Source CHEMBL
PubChem CID 68696972 Functional Category Bioactive
Molecule Name N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxybutan-2-yl]acetamide
IUPAC Name N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxybutan-2-yl]acetamide
Synonyms SureCN3571767
InChi InChI=1S/C29H37F4N3O3/c1-17(37)36-23(12-18-6-7-21(22(30)11-18)29(31,32)33)25(38)16-34-24-14-28(8-5-9-28)39-26-20(24)10-19(15-35-26)13-27(2,3)4/h6-7,10-11,15,23-25,34,38H,5,8-9,12-14,16H2,1-4H3,(H,36,37)/t23-,24-,25+/m0/s1
InChiKey NOEBJLGZGKXWLU-CCDWMCETSA-N
Formula C29H37F4N3O3 Molecular Weight 551.62
Cross Link CHEMBL2151316
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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