Bavarostat
4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
Molecular Identity
Bavarostat
4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID: 134812690
2D Structure
Properties
C20H27FN2O2
Molecular Formula
346.40
Molecular Weight
g/mol
346.2057
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
52.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
471
Complexity
SMILES
Canonical SMILES
SMILES: CN(CC1=C(C=C(C=C1)C(=O)NO)F)CC23CC4CC(C2)CC(C4)C3Isomeric SMILES
SMILES: CN(CC1=C(C=C(C=C1)C(=O)NO)F)CC23CC4CC(C2)CC(C4)C3Synonyms(15)
Bavarostat2134109-20-7CHEMBL41657244-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamideorb1739601SCHEMBL20535390GTPL11119BDBM50369345EX-A14889compound 4 [PMID: 30118224]4-(((((3r,5r,7r)-adamantan-1-yl)methyl)(methyl)amino)methyl)-3-fluoro-N-hydroxybenzamideHY-135714T698794-(((Adamantan-1-ylmethyl)(methyl)amino)methyl)-3-fluoro-N-hydroxybenzamide
Data from PubChem (NCBI)
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