Standard InChI: InChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19(22)12-5-15-3-10-18(11-4-15)21-13-1-2-14-21/h3-12H,1-2,13-14H2/b12-5+
Standard InChI Key: SVNHQWWCFDSCRH-LFYBBSHMSA-N
Associated Targets(Human)
SNU-638 372 Activities
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T47D 39041 Activities
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Cathepsin L 3852 Activities
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Cathepsin B 3822 Activities
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DNA topoisomerase II alpha 6317 Activities
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DNA topoisomerase I 7553 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 295.36
Molecular Weight (Monoisotopic): 295.1372
AlogP: 4.32
#Rotatable Bonds: 4
Polar Surface Area: 20.31
Molecular Species: NEUTRAL
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 4.87
CX LogP: 4.55
CX LogD: 4.55
Aromatic Rings: 2
Heavy Atoms: 22
QED Weighted: 0.62
Np Likeness Score: -1.00
References
1.Kim SH, Lee E, Baek KH, Kwon HB, Woo H, Lee ES, Kwon Y, Na Y.. (2013) Chalcones, inhibitors for topoisomerase I and cathepsin B and L, as potential anti-cancer agents., 23 (11):[PMID:23608763][10.1016/j.bmcl.2013.03.106]
