chempirical

Mocetinostat

C23H20N6OCAS 9003-99-0396.45 g/mol

Open in Covalent MOL file
NH2NHOHNNNN
AmidePrimary amineSecondary 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 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

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
9003-99-0
SMILES
C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4
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

35 names · show all
  • Peroxidase
  • HRP 77333
  • E.C. 1.11.1.7
  • Myeloperoxidase
  • Lactoperoxidase
  • Verdoperoxidase
  • Guaiacol peroxidase
  • Thiocyanate peroxidase
  • Oxyperoxidase
  • Protoheme peroxidase
  • Extensin peroxidase
  • Scopoletin peroxidase
  • Pyrocatechol peroxidase
  • MPO
  • Heme peroxidase
  • SP 502
  • Novozym 502
  • Scavengase p20
  • Enzylon OL 50
  • Coniferyl alcohol peroxidase
  • Pyrogallol peroxidase
  • Baylase RP
  • Peroxidase 51004
  • Guaiacolase
  • Biobake soy
  • Biobake wheat
  • NS 51004
  • Novozym 51004
  • Quinol peroxidase
  • ExtrAvidin peroxidase
  • Guardzyme
  • Peroxidase isoenzyme C
  • Peroxidases
  • Denilite COLD
  • Novozym 59127

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Mocetinostat726169-73-9

Similar compounds

4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide404844-11-751 % similar Entinostat209783-80-249 % similar N-Desmethyl imatinib404844-02-648 % similar Imatinib152459-95-547 % similar 4-[(4-Methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide571186-91-944 % similar Imatinib mesylate220127-57-142 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-042 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-341 % 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