The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
ID: ALA2282791
Max Phase: Preclinical
Molecular Formula: C23H19N3O3S
Molecular Weight: 417.49
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc1
Standard InChI: InChI=1S/C23H19N3O3S/c1-16-6-12-19(13-7-16)30(27,28)29-18-10-8-17(9-11-18)22-25-21-5-3-2-4-20(21)23-24-14-15-26(22)23/h2-13H,14-15H2,1H3
Standard InChI Key: FAYNQFCNVYYYEP-UHFFFAOYSA-N
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: 417.49Molecular Weight (Monoisotopic): 417.1147AlogP: 3.92#Rotatable Bonds: 4Polar Surface Area: 71.33Molecular Species: NEUTRALHBA: 6HBD: 0#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 4.59CX LogP: 4.92CX LogD: 4.92Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.60Np Likeness Score: -0.77
References 1. Habib OMO, Hassan HM, El-Mekabaty A. (2013) Novel quinazolinone derivatives: synthesis and antimicrobial activity, 22 (2): [10.1007/s00044-012-0079-x ]
