ID: ALA1328741
Chembl Id: CHEMBL1328741
PubChem CID: 4333234
Max Phase: Preclinical
Molecular Formula: C14H10FN3O
Molecular Weight: 255.25
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Oc1[nH]c2ccccc2c1N=Nc1ccccc1F
Standard InChI: InChI=1S/C14H10FN3O/c15-10-6-2-4-8-12(10)17-18-13-9-5-1-3-7-11(9)16-14(13)19/h1-8,16,19H
Standard InChI Key: PFZNECNEAHORSV-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: 255.25 | Molecular Weight (Monoisotopic): 255.0808 | AlogP: 4.43 | #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: 7.01 | CX Basic pKa: ┄ | CX LogP: 4.41 | CX LogD: 3.89 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.65 | Np Likeness Score: -0.83 |
| 1. PubChem BioAssay data set, |
Source(1):
