ID: ALA1313945
Chembl Id: CHEMBL1313945
PubChem CID: 3583482
Max Phase: Preclinical
Molecular Formula: C15H12FN3O
Molecular Weight: 269.28
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1cccc(N=Nc2c(O)[nH]c3ccc(F)cc23)c1
Standard InChI: InChI=1S/C15H12FN3O/c1-9-3-2-4-11(7-9)18-19-14-12-8-10(16)5-6-13(12)17-15(14)20/h2-8,17,20H,1H3
Standard InChI Key: ONRBWPMHVAEINQ-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: 269.28 | Molecular Weight (Monoisotopic): 269.0964 | AlogP: 4.74 | #Rotatable Bonds: 2 |
| Polar Surface Area: 60.74 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 7.07 | CX Basic pKa: ┄ | CX LogP: 4.92 | CX LogD: 4.44 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.65 | Np Likeness Score: -1.24 |
| 1. PubChem BioAssay data set, |
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