Standard InChI: InChI=1S/C36H28N2O4S/c1-3-5-7-9-13-23-19-20-31-28(25(23)16-10-8-6-4-2)21-29(35(41)42-31)30-22-43-36(37-30)38-33(39)26-17-11-14-24-15-12-18-27(32(24)26)34(38)40/h3-4,9-22H,1-2,5-8H2/b13-9+,16-10+
Standard InChI Key: SFBLUWYWIMVACJ-WVLBTEBZSA-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: 584.70
Molecular Weight (Monoisotopic): 584.1770
AlogP: 8.83
#Rotatable Bonds: 10
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: 9.08
CX LogD: 9.08
Aromatic Rings: 5
Heavy Atoms: 43
QED Weighted: 0.07
Np Likeness Score: -0.13
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]
