chempirical

Semaxinib

C15H14N2OCAS 204005-46-9238.29 g/mol

Open in Covalent MOL file
ONHNH
Alkene

Properties

Molecular formula
C15H14N2O
Molar mass
238.29 g/mol
Exact mass
238.1106 Da
Melting point
226–228 °C
logP
3.77Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
204005-46-9
SMILES
Cc1cc(C)c(C=C2C(O)=Nc3ccccc32)[nH]1
InChIKey
WUWDLXZGHZSWQZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)

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Names and synonyms

9 names
  • 2H-Indol-2-one, 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-
  • 3-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one
  • SU 5416
  • Sugen 5416
  • Semoxind
  • NSC 696819
  • 3-[(3,5-Dimethylpyrrol-2-yl)methylene]indolin-2-one
  • 3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one
  • VEGFR2 receptor tyrosine kinase III

Work with Semaxinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid215543-92-352 % similar Orantinib252916-29-348 % similar Sunitinib557795-19-433 % similar 3-Hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide135-61-533 % similar Indirubin479-41-433 % similar N-(2-Methylphenyl)acetamide120-66-131 % similar N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide6358-02-731 % similar 2-Methylbenzohydrazide7658-80-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-[4-(1H-Indol-3-yl)-1(4H)-pyridinyl]ethanone34981-12-9 10,11-Dihydrocarbamazepine3564-73-6

Elsewhere

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