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ID: ALA2140637
Max Phase: Preclinical
Molecular Formula: C10H12FN2O5P
Molecular Weight: 290.19
Molecule Type: Small molecule
Associated Items:
ID: ALA2140637
Max Phase: Preclinical
Molecular Formula: C10H12FN2O5P
Molecular Weight: 290.19
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC1([N+](=O)[O-])COP(=O)(Nc2ccccc2F)OC1
Standard InChI: InChI=1S/C10H12FN2O5P/c1-10(13(14)15)6-17-19(16,18-7-10)12-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,16)
Standard InChI Key: OENVNHVPLLUXJO-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: 290.19 | Molecular Weight (Monoisotopic): 290.0468 | AlogP: 2.43 | #Rotatable Bonds: 3 |
Polar Surface Area: 90.70 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 8.75 | CX Basic pKa: | CX LogP: 1.21 | CX LogD: 1.19 |
Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.52 | Np Likeness Score: -0.63 |
1. PubChem BioAssay data set, |
Source(1):