Standard InChI: InChI=1S/C12H10FN5O/c13-9-1-2-10-11(5-9)15-8-17(12(10)19)3-4-18-7-14-6-16-18/h1-2,5-8H,3-4H2
Standard InChI Key: JZQUSCHSNLRAKM-UHFFFAOYSA-N
Associated Targets(non-human)
Saccharomyces cerevisiae 19171 Activities
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Aspergillus flavus 8875 Activities
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Cyberlindnera jadinii 900 Activities
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Candida albicans 78123 Activities
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Candida 1648 Activities
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Micrococcus luteus 7463 Activities
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Staphylococcus aureus 210822 Activities
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Bacillus spizizenii 1898 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Bacillus sp. 164 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: 259.24
Molecular Weight (Monoisotopic): 259.0869
AlogP: 0.83
#Rotatable Bonds: 3
Polar Surface Area: 65.60
Molecular Species: NEUTRAL
HBA: 6
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 3.63
CX LogP: 0.63
CX LogD: 0.63
Aromatic Rings: 3
Heavy Atoms: 19
QED Weighted: 0.70
Np Likeness Score: -2.21
References
1.Peng L, Nagarajan S, Rasheed S, Zhou C. (2015) Synthesis and biological evaluation of a new class of quinazolinoneazoles as potential antimicrobial agents and their interactions with calf thymus DNA and human serum albumin, 6 (1):[10.1039/C4MD00281D]
