Envometinib
[3-[[2-chloro-3-(methylsulfamoylamino)phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
Molecular Identity
Envometinib
[3-[[2-chloro-3-(methylsulfamoylamino)phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
PubChem CID: 168982960
2D Structure
Properties
C23H27ClN4O6S
Molecular Formula
523.00
Molecular Weight
g/mol
522.1340
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
919
Complexity
SMILES
Canonical SMILES
SMILES: CNS(=O)(=O)NC1=CC=CC(=C1Cl)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)CIsomeric SMILES
SMILES: CNS(=O)(=O)NC1=CC=CC(=C1Cl)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)CSynonyms(13)
Envometinib[3-[[2-chloro-3-(methylsulfamoylamino)phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate2952542-22-0envometinib [INN]M2X2LBP6GUorb3135964SCHEMBL25393258SCHEMBL31190235GTPL14073IMM-6-415example 274 [WO2023133472]T211577Carbamic acid, N,N-dimethyl-, 3-[[2-chloro-3-[[(methylamino)sulfonyl]amino]phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxo-2H-1-benzopyran-7-yl ester
Data from PubChem (NCBI)
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