Luminespib

C26H31N3O5CAS 747412-49-3465.55 g/mol

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HNONOOHHONO
AmideEtherPhenolTertiary amine

Properties

Molecular formula
C26H31N3O5
Molar mass
465.55 g/mol
Exact mass
465.2264 Da
logP
4.13Crippen estimate
Polar surface area
108.1 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
7

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
747412-49-3
SMILES
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIKey
NDAZATDQFDPQBD-UHFFFAOYSA-N
InChI
InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)

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Names and synonyms

7 names
  • 3-Isoxazolecarboxamide, 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-
  • 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide
  • NVP-AUY 922
  • VER 52296
  • AUY 922
  • NVR-AUY 922
  • NVP-AUY 922NX

Work with Luminespib

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

Onalespib912999-49-636 % similar 1-Cyclopentyl-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-6-[4-(4-morpholinylmethyl)phenyl]-1H-indazole-4-carboxamide1396772-26-131 % similar 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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