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5-chloro-2-hydroxy-N-(3-nitro-4-(piperidin-1-yl)phenyl)benzamide ID: ALA3276549
Chembl Id: CHEMBL3276549
PubChem CID: 12367700
Max Phase: Preclinical
Molecular Formula: C18H18ClN3O4
Molecular Weight: 375.81
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O
Standard InChI: InChI=1S/C18H18ClN3O4/c19-12-4-7-17(23)14(10-12)18(24)20-13-5-6-15(16(11-13)22(25)26)21-8-2-1-3-9-21/h4-7,10-11,23H,1-3,8-9H2,(H,20,24)
Standard InChI Key: BRYBZRNLWFDPDU-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: 375.81Molecular Weight (Monoisotopic): 375.0986AlogP: 4.20#Rotatable Bonds: 4Polar Surface Area: 95.71Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 7.39CX Basic pKa: ┄CX LogP: 4.26CX LogD: 3.96Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.62Np Likeness Score: -1.80
References 1. Singh H, Singh AK, Sharma S, Iyer RN, Srivastava OP.. (1977) Synthesis of 5-chloro-3'-nitro-4'-substituted salicylanilides, a new series of anthelmintic and antimicrobial agents., 20 (6): [PMID:874957 ] [10.1021/jm00216a017 ]