Standard InChI: InChI=1S/C15H12ClN3O4S/c1-22-14(21)9-8(6-2-4-7(16)5-3-6)10-12(20)18-15(24)19-13(10)23-11(9)17/h2-5,8H,17H2,1H3,(H2,18,19,20,24)
Standard InChI Key: BXOVFFCPJWDSOF-UHFFFAOYSA-N
Associated Targets(non-human)
Bacillus cereus 7522 Activities
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Escherichia coli 133304 Activities
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Klebsiella pneumoniae 43867 Activities
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Pseudomonas aeruginosa 123386 Activities
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Penicillium chrysogenum 1593 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: 365.80
Molecular Weight (Monoisotopic): 365.0237
AlogP: 1.95
#Rotatable Bonds: 2
Polar Surface Area: 110.20
Molecular Species: NEUTRAL
HBA: 6
HBD: 3
#RO5 Violations: 0
HBA (Lipinski): 7
HBD (Lipinski): 4
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 7.80
CX Basic pKa:
CX LogP: 2.14
CX LogD: 2.00
Aromatic Rings: 2
Heavy Atoms: 24
QED Weighted: 0.55
Np Likeness Score: -0.99
References
1.Elattar KM, El-Khateeb AY, Hamed SE.. (2022) Insights into the recent progress in the medicinal chemistry of pyranopyrimidine analogs., 13 (5.0):[PMID:35694689][10.1039/d2md00076h]
