Mocetinostat

C₂₃H₂₀N₆OCAS 726169-73-9396.45 g/mol

Open in Covalent MOL file

Amide Primary amine Secondary amine

Properties

Molecular formula: C₂₃H₂₀N₆O
Molar mass: 396.45 g/mol
Exact mass: 396.1699 Da
logP: 3.99Crippen estimate
Polar surface area: 105.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Identifiers

CAS number

726169-73-9

SMILES

Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1

InChIKey

HRNLUBSXIHFDHP-UHFFFAOYSA-N

InChI

InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)

Weigh it out

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

Names and synonyms

4 names

MGCD 0103
MG 0103
Benzamide, N-(2-aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]-
N-(2-Aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide

Work with Mocetinostat

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

Entinostat209783-80-249 % similar Imatinib152459-95-547 % similar Imatinib mesylate220127-57-142 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-341 % similar Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate917392-54-241 % similar 6-Methyl-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine152460-10-139 % similar Tacedinaline112522-64-238 % similar N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide743420-02-238 % similar

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

Same formula

Lgk-9741243244-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia