Golvatinib

C33H37F2N7O4CAS 928037-13-2633.70 g/mol

Open in Covalent MOL file
NNNOHNNOHNOONHFF
AmideAryl halideEtherTertiary amineUrea

Properties

Molecular formula
C33H37F2N7O4
Molar mass
633.70 g/mol
Exact mass
633.2875 Da
logP
4.75Crippen estimate
Polar surface area
119.1 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
928037-13-2
SMILES
CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F
InChIKey
UQRCJCNVNUFYDX-UHFFFAOYSA-N
InChI
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C33H38F2N7O4 634.2948
[M + Na]+
[M + Na]+ Calcd for C33H37F2N7NaO4 656.2767
[M − H]−
[M − H]− Calcd for C33H36F2N7O4 632.2802
Elemental analysis
Anal. Calcd for C33H37F2N7O4: C, 62.55; H, 5.89; N, 15.47.

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Names and synonyms

1 name
  • Golvatinib (E7050)

Work with Golvatinib

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.

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Elsewhere

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