Dhodh-IN-16
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-propan-2-ylisoquinolin-1-one
Molecular Identity
Dhodh-IN-16
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-propan-2-ylisoquinolin-1-one
PubChem CID: 155209570
2D Structure
Properties
C24H25FN4O3
Molecular Formula
436.50
Molecular Weight
g/mol
436.1911
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
76.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C(=NN(C1=O)C2=C(C=C3C(=C2)C(=CN(C3=O)C4=CC=CC=C4C)C(C)C)F)COIsomeric SMILES
SMILES: CCN1C(=NN(C1=O)C2=C(C=C3C(=C2)C(=CN(C3=O)C4=CC=CC=C4C)C(C)C)F)COSynonyms(20)
DHODH-IN-162511248-11-4CHEMBL47513996-[4-Ethyl-4,5-dihydro-3-(hydroxymethyl)-5-oxo-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(1-methylethyl)-2-(2-methylphenyl)-1(2H)-isoquinolinone6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-propan-2-ylisoquinolin-1-oneA1AQKDHODH-IN16DP88ZN62GSorb1303302SCHEMBL22552279JNJ6665HMS6018C04JNJ-6665BDBM50549953NSC855361
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Dhodh-IN-16
Loading drug network...