chempirical

Cb-839

C26H24F3N7O3SCAS 1439399-58-2571.58 g/mol

Open in Covalent MOL file
NOHNNNSNNNHOOFFF
Alkyl halideAmideEther

Properties

Molecular formula
C26H24F3N7O3S
Molar mass
571.58 g/mol
Exact mass
571.1613 Da
logP
4.55Crippen estimate
Polar surface area
131.9 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
12

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
1439399-58-2
SMILES
C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F
InChIKey
PRAAPINBUWJLGA-UHFFFAOYSA-N
InChI
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Telaglenastat

Work with Cb-839

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

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

Elsewhere

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