Standard InChI: InChI=1S/C24H10Br2N2O4S/c25-13-7-12-8-16(23(31)32-20(12)17(26)9-13)18-10-33-24(27-18)28-21(29)14-5-1-3-11-4-2-6-15(19(11)14)22(28)30/h1-10H
Standard InChI Key: QBOLTPLAODZOPR-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: 582.23
Molecular Weight (Monoisotopic): 579.8728
AlogP: 6.40
#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: 6.31
CX LogD: 6.31
Aromatic Rings: 5
Heavy Atoms: 33
QED Weighted: 0.18
Np Likeness Score: -0.87
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]
