CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00326883" in compound.

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CFAM Mol ID CFAMM00326883
Family CFFBM1733 Beta-secretase 1 and Beta-secretase 2 inhibitor SureCN5224847 family
Superfamily CFSBM203 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL552744 External Source CHEMBL
PubChem CID 45272378 Functional Category Bioactive
Molecule Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]benzamide
IUPAC Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]benzamide
Synonyms CHEBI:665413
InChi InChI=1S/C34H40F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h4,7-9,13-15,17-20,32-33,37,41H,1,5-6,10-12,16,21-22H2,2-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1
Formula C34H40F2N4O6S Molecular Weight 670.77
Cross Link CHEMBL552744

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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