Standard InChI: InChI=1S/C15H12ClNOS/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17/h1-8H,9-10H2
Standard InChI Key: QDMBCNDXWXEIAF-UHFFFAOYSA-N
Associated Targets(non-human)
Candida albicans 78123 Activities
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Candida parapsilosis 8521 Activities
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Nakaseomyces glabratus 9108 Activities
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Pichia kudriavzevii 7448 Activities
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Meyerozyma guilliermondii 575 Activities
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Cryptococcus neoformans 21258 Activities
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Aspergillus flavus 8875 Activities
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Aspergillus niger 16508 Activities
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Aspergillus nidulans 364 Activities
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Aspergillus terreus 892 Activities
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Exophiala spinifera 38 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
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Properties
Molecular Weight: 289.79
Molecular Weight (Monoisotopic): 289.0328
AlogP: 4.44
#Rotatable Bonds: 2
Polar Surface Area: 20.31
Molecular Species: NEUTRAL
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 3.72
CX LogD: 3.72
Aromatic Rings: 2
Heavy Atoms: 19
QED Weighted: 0.76
Np Likeness Score: -0.97
References
1.Sarmiento GP, Vitale RG, Afeltra J, Moltrasio GY, Moglioni AG.. (2011) Synthesis and antifungal activity of some substituted phenothiazines and related compounds., 46 (1):[PMID:21093111][10.1016/j.ejmech.2010.10.019]
