Standard InChI: InChI=1S/C8H6N4/c1-6-2-3-12-8(11-6)7(4-9)5-10-12/h2-3,5H,1H3
Standard InChI Key: YVPHWSGHQPTTIB-UHFFFAOYSA-N
Associated Targets(non-human)
Fusarium graminearum 1554 Activities
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Alternaria solani 773 Activities
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Phomopsis asparagi 62 Activities
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Mycosphaerella arachidis 441 Activities
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Brassica rapa subsp. oleifera 1696 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: 158.16
Molecular Weight (Monoisotopic): 158.0592
AlogP: 0.91
#Rotatable Bonds: 0
Polar Surface Area: 53.98
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 0.46
CX LogP: 0.64
CX LogD: 0.64
Aromatic Rings: 2
Heavy Atoms: 12
QED Weighted: 0.57
Np Likeness Score: -2.75
References
1.Hammouda MM, Gaffer HE, Elattar KM.. (2022) Insights into the medicinal chemistry of heterocycles integrated with a pyrazolo[1,5-a]pyrimidine scaffold., 13 (10.0):[PMID:36325400][10.1039/d2md00192f]
