ID: ALA1361023
Chembl Id: CHEMBL1361023
PubChem CID: 24856274
Max Phase: Preclinical
Molecular Formula: C15H9FN2O5
Molecular Weight: 316.24
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1
Standard InChI: InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
Standard InChI Key: DHYWKROGVBRSQF-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: 316.24 | Molecular Weight (Monoisotopic): 316.0495 | AlogP: 1.54 | #Rotatable Bonds: 2 |
| Polar Surface Area: 108.64 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 6.75 | CX Basic pKa: ┄ | CX LogP: 1.25 | CX LogD: 0.36 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.58 | Np Likeness Score: -0.73 |
| 1. PubChem BioAssay data set, |
Source(1):
