chempirical

(-)-Blebbistatin

C18H16N2O2CAS 856925-71-8292.34 g/mol

Open in Covalent MOL file
NONHO
AlcoholAmidineKetone

Properties

Molecular formula
C18H16N2O2
Molar mass
292.34 g/mol
Exact mass
292.1212 Da
logP
2.86Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
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
856925-71-8
SMILES
CC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)O
InChIKey
LZAXPYOBKSJSEX-GOSISDBHSA-N
InChI
InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1

Weigh it out

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Names and synonyms

1 names
  • (S)-Blebbistatin

Work with (-)-Blebbistatin

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

5-Methylindolin-2-one3484-35-335 % similar N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-933 % similar 2-Hydroxy-5-methylbenzophenone1470-57-133 % similar 2-Chloro-5-methylbenzoic acid6342-60-532 % similar 4-Methylphthalic acid4316-23-832 % similar 2-Methylanthraquinone84-54-832 % similar 2,5-Dimethylbenzophenone4044-60-432 % similar 2,5-Dimethylbenzoic acid610-72-031 % similar

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

Same formula

3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-5 4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]2479-46-1 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-1

Elsewhere

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