Enrupatinib
6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
Molecular Identity
Enrupatinib
6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID: 134442338
2D Structure
Properties
C27H26N6O3
Molecular Formula
482.50
Molecular Weight
g/mol
482.2066
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C=C1)COC2=C(C=C(C=C2)NC3=C(C4=NC(=CN=C4C=C3)N5CCOCC5)C#N)OCIsomeric SMILES
SMILES: CC1=NC=C(C=C1)COC2=C(C=C(C=C2)NC3=C(C4=NC(=CN=C4C=C3)N5CCOCC5)C#N)OCSynonyms(20)
enrupatinib2222689-47-4EI1071EI-10719L35RVQ9J6RefChem:10840996-((3-methoxy-4-((6-methylpyridin-3-yl)methoxy)phenyl)amino)-3-morpholinoquinoxaline-5-carbonitrileenrupatinib [INN]orb2695381orb2695386CHEMBL5882296SCHEMBL20077340SCHEMBL30492239SCHEMBL30492244GTPL13489
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Enrupatinib
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