CFam Chemical Families Database
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You are searching for "CFAMM00439191" in compound.

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CFAM Mol ID CFAMM00439191
Family CFFBM16734 Beta-secretase 1 inhibitor N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(N-methylsulfonylanilino)benzamide family
Superfamily CFSBM203 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL558938 External Source CHEMBL
PubChem CID 45271469 Functional Category Bioactive
Molecule Name 3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
IUPAC Name 3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Synonyms CHEBI:663603
InChi InChI=1S/C37H40F2N4O5/c1-23(27-10-6-5-7-11-27)41-36(45)29-17-28(24(2)43-48-4)18-30(19-29)37(46)42-34(16-26-13-31(38)20-32(39)14-26)35(44)22-40-21-25-9-8-12-33(15-25)47-3/h5-15,17-20,23,34-35,40,44H,16,21-22H2,1-4H3,(H,41,45)(H,42,46)/b43-24-/t23-,34+,35-/m1/s1
Formula C37H40F2N4O5 Molecular Weight 658.73
Cross Link CHEMBL558938

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).

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