CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00427217" in compound.

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CFAM Mol ID CFAMM00427217
Family CFFBM14227 Beta-secretase 1 inhibitor 1-N-[(1R,2S)-1-[(2R,4S)-4-butoxypiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide family
Superfamily CFSID981 Plasmepsin-2 Inhibitor PS-222036 Superfamily
Class CFCID676 Class 2026
External ID CHEMBL373533 External Source CHEMBL
PubChem CID 11628951 Functional Category Bioactive
Molecule Name SureCN3348071
IUPAC Name 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Synonyms KB-79177;hydroxyethyl secondary amine (HEA) inhibitor 6b;388063-46-5;F2I;N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide;N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide
InChi InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
Formula C32H38F2IN3O3 Molecular Weight 677.56
Cross Link CHEMBL373533

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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