Netarsudil
[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
Molecular Identity
Netarsudil
[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
PubChem CID: 66599893
2D Structure
Properties
C28H27N3O3
Molecular Formula
453.50
Molecular Weight
g/mol
453.2052
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
94.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Netarsudil1254032-66-0AR-11324 free baseW6I5QDT7QIDTXSID001027774Benzoic acid, 2,4-dimethyl-, (4-((1S)-1-(aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl)phenyl)methyl ester{4-[(1S)-2-amino-1-[(isoquinolin-6-yl)carbamoyl]ethyl]phenyl}methyl 2,4-dimethylbenzoatenetarsudilum(4-((1S)-2-amino-1-((isoquinolin-6-yl)carbamoyl)ethyl)phenyl)methyl 2,4-dimethylbenzoateRefChem:57176S01EX05DTXCID101513350(4-((1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl)phenyl)methyl 2,4-dimethylbenzoate(4-((1S)-1-(Aminomethyl)-2-(isoquinolin-6-ylamino)-2-oxoethyl)phenyl)methyl 2,4-dimethylbenzoateRhopressa
Data from PubChem (NCBI)
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