Standard InChI: InChI=1S/C20H20Cl2N2O2/c21-14-1-2-15(22)17-16(14)18(25)13(9-23-17)19(26)24-20-6-10-3-11(7-20)5-12(4-10)8-20/h1-2,9-12H,3-8H2,(H,23,25)(H,24,26)
Standard InChI Key: ANMPGAUFPGVOHG-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 CB2 receptor 16942 Activities
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Cannabinoid CB1 receptor 20913 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: 391.30
Molecular Weight (Monoisotopic): 390.0902
AlogP: 4.53
#Rotatable Bonds: 2
Polar Surface Area: 61.96
Molecular Species: NEUTRAL
HBA: 2
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 7.06
CX Basic pKa:
CX LogP: 4.25
CX LogD: 3.80
Aromatic Rings: 2
Heavy Atoms: 26
QED Weighted: 0.79
Np Likeness Score: -0.72
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]
