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N-tert-butyl-2-ethoxy-N'-(4-methoxybenzoyl)benzohydrazide ID: ALA2286434
Chembl Id: CHEMBL2286434
PubChem CID: 76330980
Max Phase: Preclinical
Molecular Formula: C21H26N2O4
Molecular Weight: 370.45
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOc1ccccc1C(=O)N(NC(=O)c1ccc(OC)cc1)C(C)(C)C
Standard InChI: InChI=1S/C21H26N2O4/c1-6-27-18-10-8-7-9-17(18)20(25)23(21(2,3)4)22-19(24)15-11-13-16(26-5)14-12-15/h7-14H,6H2,1-5H3,(H,22,24)
Standard InChI Key: HUWGTBXXQLWSOW-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
Calculated Properties Molecular Weight: 370.45Molecular Weight (Monoisotopic): 370.1893AlogP: 3.68#Rotatable Bonds: 5Polar Surface Area: 67.87Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.99CX Basic pKa: ┄CX LogP: 3.41CX LogD: 3.41Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.82Np Likeness Score: -0.87
References 1. Soin T, De Geyter E, Mosallanejad H, Iga M, Martín D, Ozaki S, Kitsuda S, Harada T, Miyagawa H, Stefanou D, Kotzia G, Efrose R, Labropoulou V, Geelen D, Iatrou K, Nakagawa Y, Janssen CR, Smagghe G, Swevers L.. (2010) Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays., 66 (5): [PMID:20069627 ] [10.1002/ps.1903 ]