Oritinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular Identity
Oritinib
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID: 122666966
2D Structure
Properties
C31H37N7O2
Molecular Formula
539.70
Molecular Weight
g/mol
539.3009
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
87.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
843
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=C4CCCCN4C5=CC=CC=C53)OCIsomeric SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=C4CCCCN4C5=CC=CC=C53)OCSynonyms(20)
Oritinib2035089-28-0SH-1028SK593H37SCRefChem:928282N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl)amino)phenyl)acrylamideN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamiderilertinibOritinib [WHO-DD]orb1301179CHEMBL6068561SCHEMBL18202274GTPL13760DTXSID201385253SH1028
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oritinib
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