Standard InChI: InChI=1S/C24H11BrN2O4S/c25-14-7-8-19-13(9-14)10-17(23(30)31-19)18-11-32-24(26-18)27-21(28)15-5-1-3-12-4-2-6-16(20(12)15)22(27)29/h1-11H
Standard InChI Key: NFMUVJRPOKFHIE-UHFFFAOYSA-N
Associated Targets(non-human)
Calf thymus DNA 4845 Activities
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Staphylococcus aureus 210822 Activities
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Staphylococcus epidermidis 22802 Activities
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Escherichia coli 133304 Activities
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Pseudomonas aeruginosa 123386 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: 503.33
Molecular Weight (Monoisotopic): 501.9623
AlogP: 5.63
#Rotatable Bonds: 2
Polar Surface Area: 80.48
Molecular Species: NEUTRAL
HBA: 6
HBD: 0
#RO5 Violations: 2
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 2
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.54
CX LogD: 5.54
Aromatic Rings: 5
Heavy Atoms: 32
QED Weighted: 0.23
Np Likeness Score: -0.99
References
1.Tomczyk MD, Walczak KZ.. (2018) l,8-Naphthalimide based DNA intercalators and anticancer agents. A systematic review from 2007 to 2017., 159 [PMID:30312931][10.1016/j.ejmech.2018.09.055]
