CFam Chemical Families Database
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You are searching for "CFAMM00402164" in compound.

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CFAM Mol ID CFAMM00402164
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 CHEMBL2181904 External Source CHEMBL
PubChem CID 71450310 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-ethynyl-2-fluorophenyl)-3-hydroxybutan-2-yl]-2-methoxyacetamide
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-ethynyl-2-fluorophenyl)-3-hydroxybutan-2-yl]-2-methoxyacetamide
Synonyms
InChi InChI=1S/C31H40FN3O4/c1-6-21-9-7-10-22(28(21)32)14-24(35-27(37)19-38-5)26(36)18-33-25-16-31(11-8-12-31)39-29-23(25)13-20(17-34-29)15-30(2,3)4/h1,7,9-10,13,17,24-26,33,36H,8,11-12,14-16,18-19H2,2-5H3,(H,35,37)/t24-,25-,26+/m0/s1
InChiKey DGWCRGXULLAKNL-KKUQBAQOSA-N
Formula C31H40FN3O4 Molecular Weight 537.67
Cross Link CHEMBL2181904
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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