Orantinib
3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Molecular Identity
Orantinib
3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
PubChem CID: 5329099
2D Structure
Properties
C18H18N2O3
Molecular Formula
310.30
Molecular Weight
g/mol
310.1317
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
82.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
516
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Orantinib252916-29-3TSU-68SU-6668SU 6668TSU 68OrantinibumSU0066683-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acidNSC-702827SU-0066689RL37ZZ6655-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone3-(2,4-Dimethyl-5-((2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-1H-pyrrol-3-yl)propionic acid
Data from PubChem (NCBI)
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