chempirical

Cx-4945

C19H12ClN3O2CAS 1009820-21-6349.77 g/mol

Open in Covalent MOL file
ClHNNOHON
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C19H12ClN3O2
Molar mass
349.77 g/mol
Exact mass
349.0618 Da
logP
4.88Crippen estimate
Polar surface area
75.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

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
1009820-21-6
SMILES
C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4
InChIKey
MUOKSQABCJCOPU-UHFFFAOYSA-N
InChI
InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)

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Names and synonyms

1 names
  • Silmitasertib

Work with Cx-4945

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

2-((3-Chlorophenyl)amino)benzoic acid13278-36-942 % similar 3-Chlorobenzoic acid535-80-842 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-542 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-841 % similar 3-(Pyridin-3-yl)benzoic acid4385-77-740 % similar 2-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-039 % similar 6-Isoquinolinecarboxylic acid106778-43-239 % similar 4-Pyridin-3-yl-benzoic acid4385-75-536 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook