ID: ALA1904443
Chembl Id: CHEMBL1904443
PubChem CID: 49852500
Max Phase: Preclinical
Molecular Formula: C16H10F2N2O
Molecular Weight: 284.27
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Fc1cc(F)cc(-c2noc(/C=C/c3ccccc3)n2)c1
Standard InChI: InChI=1S/C16H10F2N2O/c17-13-8-12(9-14(18)10-13)16-19-15(21-20-16)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
Standard InChI Key: IPLPOYZPAMEUAD-VOTSOKGWSA-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: 284.27 | Molecular Weight (Monoisotopic): 284.0761 | AlogP: 4.19 | #Rotatable Bonds: 3 |
| Polar Surface Area: 38.92 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 5.25 | CX LogD: 5.25 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.72 | Np Likeness Score: -1.17 |
| 1. PubChem BioAssay data set, |
Source(1):
