2-(2-(4-(4-Methoxyphenyl)thiazol-2-yl)hydrazono)-1,2-diphenylethanol

ID: ALA1088592

PubChem CID: 46881077

Max Phase: Preclinical

Molecular Formula: C24H21N3O2S

Molecular Weight: 415.52

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(-c2csc(N/N=C(\c3ccccc3)C(O)c3ccccc3)n2)cc1

Standard InChI:  InChI=1S/C24H21N3O2S/c1-29-20-14-12-17(13-15-20)21-16-30-24(25-21)27-26-22(18-8-4-2-5-9-18)23(28)19-10-6-3-7-11-19/h2-16,23,28H,1H3,(H,25,27)/b26-22+

Standard InChI Key:  BALGDAWAAPBWJW-XTCLZLMSSA-N

Molfile:  

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M  END

Associated Targets(non-human)

Vibrio cholerae (1211 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus flavus (8875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 415.52Molecular Weight (Monoisotopic): 415.1354AlogP: 5.37#Rotatable Bonds: 7
Polar Surface Area: 66.74Molecular Species: NEUTRALHBA: 6HBD: 2
#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): 1
CX Acidic pKa: 10.33CX Basic pKa: 4.36CX LogP: 5.98CX LogD: 5.98
Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.31Np Likeness Score: -1.02

References

1. Bharti SK, Nath G, Tilak R, Singh SK..  (2010)  Synthesis, anti-bacterial and anti-fungal activities of some novel Schiff bases containing 2,4-disubstituted thiazole ring.,  45  (2): [PMID:19932927] [10.1016/j.ejmech.2009.11.008]

Source