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: ALA1886954
Max Phase: Preclinical
Molecular Formula: C22H20N4OS2
Molecular Weight: 420.56
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1
Standard InChI: InChI=1S/C22H20N4OS2/c27-22(26-10-2-1-3-11-26)23-15-8-9-16-17(14-15)25-21(19-7-5-13-29-19)20(24-16)18-6-4-12-28-18/h4-9,12-14H,1-3,10-11H2,(H,23,27)
Standard InChI Key: UQCZVQNILRQKFC-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: 420.56Molecular Weight (Monoisotopic): 420.1079AlogP: 6.10#Rotatable Bonds: 3Polar Surface Area: 58.12Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 13.09CX Basic pKa: CX LogP: 5.12CX LogD: 5.12Aromatic Rings: 4Heavy Atoms: 29QED Weighted: 0.44Np Likeness Score: -1.69
References 1. PubChem BioAssay data set, 2. PubChem BioAssay data set,
