ID: ALA1479206
Chembl Id: CHEMBL1479206
PubChem CID: 836402
Max Phase: Preclinical
Molecular Formula: C17H13FN2O
Molecular Weight: 280.30
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12
Standard InChI: InChI=1S/C17H13FN2O/c18-14-8-6-12(7-9-14)11-16(21)20-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2,(H,20,21)
Standard InChI Key: ASHJDNWSYVAWSL-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 |
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| Molecular Weight: 280.30 | Molecular Weight (Monoisotopic): 280.1012 | AlogP: 3.56 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.99 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 12.23 | CX Basic pKa: 3.42 | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -1.84 |
| 1. PubChem BioAssay data set, |
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