Standard InChI: InChI=1S/C26H19N5O2/c27-18-22-23(19-10-4-1-5-11-19)31(29-28-22)17-16-30-24(20-12-6-2-7-13-20)25(33-26(30)32)21-14-8-3-9-15-21/h1-15H,16-17H2
Standard InChI Key: ZBCXNQHQLMGSNQ-UHFFFAOYSA-N
Associated Targets(non-human)
Candida albicans 78123 Activities
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Candida tropicalis 8381 Activities
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Cyberlindnera jadinii 900 Activities
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Pichia kudriavzevii 7448 Activities
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Nakaseomyces glabratus 9108 Activities
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Candida parapsilosis 8521 Activities
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Mucor hiemalis 184 Activities
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Aspergillus fumigatus 16427 Activities
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Cutaneotrichosporon cutaneum 20 Activities
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Rhizopus arrhizus 810 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
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Properties
Molecular Weight: 433.47
Molecular Weight (Monoisotopic): 433.1539
AlogP: 4.61
#Rotatable Bonds: 6
Polar Surface Area: 89.64
Molecular Species: NEUTRAL
HBA: 7
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 7
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.48
CX LogD: 4.48
Aromatic Rings: 5
Heavy Atoms: 33
QED Weighted: 0.39
Np Likeness Score: -0.98
References
1.Ramírez-Villalva A, González-Calderón D, Rojas-García RI, González-Romero C, Tamaríz-Mascarúa J, Morales-Rodríguez M, Zavala-Segovia N, Fuentes-Benítes A.. (2017) Synthesis and antifungal activity of novel oxazolidin-2-one-linked 1,2,3-triazole derivatives., 8 (12):[PMID:30108741][10.1039/C7MD00442G]
