Standard InChI: InChI=1S/C23H24ClF3N2O3/c24-16-9-10-20(30)18(13-16)21(31)29-19(11-14-5-2-1-3-6-14)22(32)28-17-8-4-7-15(12-17)23(25,26)27/h4,7-10,12-14,19,30H,1-3,5-6,11H2,(H,28,32)(H,29,31)/t19-/m0/s1
Standard InChI Key: GEDNWCDPRLAKEC-IBGZPJMESA-N
Associated Targets(Human)
G-361 890 Activities
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HOS 906 Activities
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HCT-116 91556 Activities
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HeLa 62764 Activities
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MCF7 126967 Activities
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K562 73714 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: 468.90
Molecular Weight (Monoisotopic): 468.1428
AlogP: 5.77
#Rotatable Bonds: 6
Polar Surface Area: 78.43
Molecular Species: NEUTRAL
HBA: 3
HBD: 3
#RO5 Violations: 1
HBA (Lipinski): 5
HBD (Lipinski): 3
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 7.66
CX Basic pKa:
CX LogP: 6.48
CX LogD: 6.29
Aromatic Rings: 2
Heavy Atoms: 32
QED Weighted: 0.50
Np Likeness Score: -1.08
References
1.Imramovský A, Jorda R, Pauk K, Rezníčková E, Dušek J, Hanusek J, Kryštof V.. (2013) Substituted 2-hydroxy-N-(arylalkyl)benzamides induce apoptosis in cancer cell lines., 68 [PMID:23981532][10.1016/j.ejmech.2013.08.009]
