ID: ALA1584752
Chembl Id: CHEMBL1584752
PubChem CID: 755636
Max Phase: Preclinical
Molecular Formula: C20H15FO4
Molecular Weight: 338.33
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C20H15FO4/c1-2-25-20(24)17-16(11-12-7-9-13(21)10-8-12)18(22)14-5-3-4-6-15(14)19(17)23/h3-10H,2,11H2,1H3
Standard InChI Key: LFEASAQKZPZJMF-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 338.33 | Molecular Weight (Monoisotopic): 338.0954 | AlogP: 3.31 | #Rotatable Bonds: 4 |
| Polar Surface Area: 60.44 | Molecular Species: ┄ | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.93 | CX LogD: 3.93 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.63 | Np Likeness Score: -0.29 |
| 1. PubChem BioAssay data set, |
Source(1):
