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(E)-2-(4-Methylpiperazin-1-yl)-N-(2-(phenyldiazenyl)phenyl)-acetamide dihydrochloride ID: ALA5197157
Chembl Id: CHEMBL5197157
Max Phase: Preclinical
Molecular Formula: C19H25Cl2N5O
Molecular Weight: 337.43
Associated Items:
Names and Identifiers Canonical SMILES: CN1CCN(CC(=O)Nc2ccccc2/N=N/c2ccccc2)CC1.Cl.Cl
Standard InChI: InChI=1S/C19H23N5O.2ClH/c1-23-11-13-24(14-12-23)15-19(25)20-17-9-5-6-10-18(17)22-21-16-7-3-2-4-8-16;;/h2-10H,11-15H2,1H3,(H,20,25);2*1H/b22-21+;;
Standard InChI Key: RSIWAQKLAWXDGD-ZPZFBZIMSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Calculated Properties Molecular Weight: 337.43Molecular Weight (Monoisotopic): 337.1903AlogP: 3.29#Rotatable Bonds: 5Polar Surface Area: 60.30Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.70CX Basic pKa: 7.20CX LogP: 3.36CX LogD: 3.14Aromatic Rings: 2Heavy Atoms: 25QED Weighted: 0.85Np Likeness Score: -1.66
References 1. Riefolo F, Sortino R, Matera C, Claro E, Preda B, Vitiello S, Traserra S, Jiménez M, Gorostiza P.. (2021) Rational Design of Photochromic Analogues of Tricyclic Drugs., 64 (13.0): [PMID:34160229 ] [10.1021/acs.jmedchem.1c00504 ]