Molecules/(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(7-methylsulfonylisoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
Molecular Identity
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(7-methylsulfonylisoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID: 169408342
2D Structure
Properties
C23H21ClN4O5S
Molecular Formula
501.00
Molecular Weight
g/mol
500.0921
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
910
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)CN1CC(C2=C(C1=O)C=CC(=C2)Cl)C(=O)NC3=C4C=CC(=CC4=CN=C3)S(=O)(=O)CIsomeric SMILES
SMILES: CNC(=O)CN1C[C@H](C2=C(C1=O)C=CC(=C2)Cl)C(=O)NC3=C4C=CC(=CC4=CN=C3)S(=O)(=O)CSynonyms(2)
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamideRg3
Data from PubChem (NCBI)
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Molecular Structure
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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Drug Network
Trials and conditions connected to (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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