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N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide ID: ALA1529260
Max Phase: Preclinical
Molecular Formula: C22H18N2O4
Molecular Weight: 374.40
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1
Standard InChI: InChI=1S/C22H18N2O4/c1-14-11-17(8-9-18(14)24-21(25)15-5-3-2-4-6-15)23-22(26)16-7-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
Standard InChI Key: XULWUJNRHNYSSD-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Properties Molecular Weight: 374.40Molecular Weight (Monoisotopic): 374.1267AlogP: 4.23#Rotatable Bonds: 4Polar Surface Area: 76.66Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: CX LogP: 4.29CX LogD: 4.29Aromatic Rings: 3Heavy Atoms: 28QED Weighted: 0.72Np Likeness Score: -1.30
References 1. PubChem BioAssay data set,
