Vegf receptor 2 kinase inhibitor I

C₁₈H₁₈N₂O₃CAS 15966-93-5310.35 g/mol

Open in Covalent MOL file

Alkene Amide Ester Lactam

Properties

Molecular formula: C₁₈H₁₈N₂O₃
Molar mass: 310.35 g/mol
Exact mass: 310.1317 Da
logP: 3.30Crippen estimate
Polar surface area: 71.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

15966-93-5

SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C\2/C3=CC=CC=C3NC2=O)C

InChIKey

PMUJUSJUVIXDQC-LCYFTJDESA-N

InChI

InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-

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Names and synonyms

1 names

Vegfr2 kinase inhibitor I

Work with Vegf receptor 2 kinase inhibitor I

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

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

Same formula

Orantinib252916-29-3 5-(Phenylmethoxy)tryptophan6383-70-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook