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ID: ALA3911898
Max Phase: Preclinical
Molecular Formula: C20H18F3NO
Molecular Weight: 345.36
Molecule Type: Small molecule
Associated Items:
ID: ALA3911898
Max Phase: Preclinical
Molecular Formula: C20H18F3NO
Molecular Weight: 345.36
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)OCC2
Standard InChI: InChI=1S/C20H18F3NO/c21-20(22,23)18-15-9-5-11-17-19(15)24(12-13-25-17)16(18)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11H,4,8,10,12-13H2
Standard InChI Key: VPLAFDBAMQZJCW-UHFFFAOYSA-N
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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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 345.36 | Molecular Weight (Monoisotopic): 345.1340 | AlogP: 5.23 | #Rotatable Bonds: 4 |
Polar Surface Area: 14.16 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
#RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.59 | CX LogD: 5.59 |
Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.63 | Np Likeness Score: -0.40 |
1. (2015) Tricyclic indole derivatives useful endothelial lipase inhibitors, |
Source(1):