hydroxyflutamide   

GtoPdb Ligand ID: 2862

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 95.15
Molecular weight 292.07
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O
Isomeric SMILES O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O
InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChI Key YPQLFJODEKMJEF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Database Links
BindingDB Ligand 50006109
CAS Registry No. 52806-53-8 (source: Scifinder)
ChEMBL Ligand CHEMBL491
GtoPdb PubChem SID 135650359
NURSA Ligand 10.1621/UB3SLCN5AD
PubChem CID 91649
RCSB PDB Ligand HFT
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SynPHARM 14315 (in complex with Androgen receptor)
Wikipedia Hydroxyflutamide