CFam Chemical Families Database
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You are searching for "CFAMM00409315" in compound.

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CFAM Mol ID CFAMM00409315
Family CFFBM11420 Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM5481 Cathepsin D and Beta-secretase 1 Binder Superfamily 9
Class CFCBM1545 Class 4595
External ID CHEMBL2407488 External Source CHEMBL
PubChem CID 71581445 Functional Category Bioactive
Molecule Name CHEMBL2407488
IUPAC Name
Synonyms (12s)-12-[(1r)-2-{[(4s)-6-Ethyl-3,4-Dihydrospiro[chromene-2,1'-Cyclobutan]-4-Yl]amino}-1-Hydroxyethyl]-1,13-Diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-Pentaene-14,18-Dione;1R6
InChi InChI=1S/C34H41N3O4/c1-2-23-10-12-31-27(18-23)29(20-34(41-31)14-6-15-34)35-21-30(38)28-19-25-9-5-8-24(17-25)7-3-4-16-37-22-26(33(40)36-28)11-13-32(37)39/h5,8-13,17-18,22,28-30,35,38H,2-4,6-7,14-16,19-21H2,1H3,(H,36,40)/t28-,29-,30+/m0/s1
InChiKey LCSGKLXXIKDHLA-OIFRRMEBSA-N
Formula C34H41N3O4 Molecular Weight 555.71
Cross Link CHEMBL2407488
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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