Standard InChI: InChI=1S/C25H14N2O5S/c1-31-19-10-4-7-14-11-17(24(30)32-21(14)19)18-12-33-25(26-18)27-22(28)15-8-2-5-13-6-3-9-16(20(13)15)23(27)29/h2-12H,1H3
Standard InChI Key: OFDMZVNVJIMNQM-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: 454.46
Molecular Weight (Monoisotopic): 454.0623
AlogP: 4.88
#Rotatable Bonds: 3
Polar Surface Area: 89.71
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: 4.61
CX LogD: 4.61
Aromatic Rings: 5
Heavy Atoms: 33
QED Weighted: 0.29
Np Likeness Score: -0.76
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]
