CFam Chemical Families Database
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You are searching for "CFAMM00318539" in compound.

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CFAM Mol ID CFAMM00318539
Family CFFBM1021 Beta-secretase 1 inhibitor SureCN8292705 family
Superfamily CFSBM579 Beta-secretase 1 and Cathepsin B Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL266565 External Source CHEMBL
PubChem CID 44430092 Functional Category Bioactive
Molecule Name 3-chloro-N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide
IUPAC Name 3-chloro-N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide
Synonyms CHEBI:493581
InChi InChI=1S/C36H46ClF2N3O5S/c1-4-9-31(10-5-2)48(46,47)23-33(42-35(44)27-13-8-14-28(37)19-27)36(45)41-32(18-26-16-29(38)20-30(39)17-26)34(43)22-40-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,40,43H,4-6,9-10,18,21-23H2,1-3H3,(H,41,45)(H,42,44)/t32-,33+,34+/m0/s1
Formula C36H46ClF2N3O5S Molecular Weight 706.28
Cross Link CHEMBL266565

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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