Standard InChI: InChI=1S/C18H14F2N2O3/c19-11-6-13(20)12-8-15(22-14(12)7-11)18(23)21-4-3-10-1-2-16-17(5-10)25-9-24-16/h1-2,5-8,22H,3-4,9H2,(H,21,23)
Standard InChI Key: GJWCCGFDLGWEPL-UHFFFAOYSA-N
Associated Targets(Human)
KNS-42 217 Activities
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Daoy 570 Activities
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HFF-1 186 Activities
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Cannabinoid CB1 receptor 20913 Activities
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Cannabinoid CB2 receptor 16942 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: 344.32
Molecular Weight (Monoisotopic): 344.0972
AlogP: 3.15
#Rotatable Bonds: 4
Polar Surface Area: 63.35
Molecular Species: NEUTRAL
HBA: 3
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 13.58
CX Basic pKa:
CX LogP: 2.99
CX LogD: 2.99
Aromatic Rings: 3
Heavy Atoms: 25
QED Weighted: 0.76
Np Likeness Score: -0.90
References
1.Alsayed SSR, Suri A, Bailey AW, Lane S, Werry EL, Huang CC, Yu LF, Kassiou M, Sredni ST, Gunosewoyo H.. (2021) Synthesis and antitumour evaluation of indole-2-carboxamides against paediatric brain cancer cells., 12 (11.0):[PMID:34825187][10.1039/D1MD00065A]
