chempirical

Gsk-2110183C

C18H17Cl2FN4OSCAS 1047644-62-1427.32 g/mol

Open in Covalent MOL file
NNClSONHFNH2Cl
AmideAryl halidePrimary amine

Properties

Molecular formula
C18H17Cl2FN4OS
Molar mass
427.32 g/mol
Exact mass
426.0484 Da
logP
3.89Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
1047644-62-1
SMILES
CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl
InChIKey
AFJRDFWMXUECEW-LBPRGKRZSA-N
InChI
InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1

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Names and synonyms

1 names
  • Afuresertib

Work with Gsk-2110183C

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

Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid270596-52-631 % similar 3-Fluoro-D-phenylalanine110117-84-531 % similar 3-Fluoro-L-phenylalanine19883-77-331 % similar 3-Fluorophenylalanine2629-54-131 % similar 3-Fluorophenylalanine456-88-231 % similar (βS)-β-Amino-3-fluorobenzenebutanoic acid270596-50-430 % similar

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

Elsewhere

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