chempirical

Lhd-221

C24H23N5OSCAS 1227633-49-9429.54 g/mol

Open in Covalent MOL file
NNNNSNHOH
PhenolSecondary amine

Properties

Molecular formula
C24H23N5OS
Molar mass
429.54 g/mol
Exact mass
429.1623 Da
logP
5.65Crippen estimate
Polar surface area
75.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
1227633-49-9
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)C3=CSC4=CC=CC=C43)NCCC5=CC=C(C=C5)O
InChIKey
BGFHMYJZJZLMHW-UHFFFAOYSA-N
InChI
InChI=1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)

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Names and synonyms

1 names
  • Stemregenin 1

Work with Lhd-221

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

Seliciclib186692-46-633 % similar

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

Elsewhere

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