Standard InChI: InChI=1S/C12H7BrN2S/c13-11-3-1-9(2-4-11)8-15-12-10(7-14)5-6-16-12/h1-6,8H/b15-8+
Standard InChI Key: NTLDAYHCEXLIOQ-OVCLIPMQSA-N
Associated Targets(non-human)
Epidermophyton floccosum 561 Activities
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Candida parapsilosis 8521 Activities
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Trichophyton tonsurans 138 Activities
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Trichophyton mentagrophytes 4846 Activities
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Trichophyton rubrum 3646 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type:
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 291.17
Molecular Weight (Monoisotopic): 289.9513
AlogP: 4.13
#Rotatable Bonds: 2
Polar Surface Area: 36.15
Molecular Species: NEUTRAL
HBA: 3
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.42
CX LogD: 4.42
Aromatic Rings: 2
Heavy Atoms: 16
QED Weighted: 0.77
Np Likeness Score: -1.79
References
1.Duvauchelle V, Meffre P, Benfodda Z.. (2022) Recent contribution of medicinally active 2-aminothiophenes: A privileged scaffold for drug discovery., 238 [PMID:35696863][10.1016/j.ejmech.2022.114502]
