ID: ALA1450897
Chembl Id: CHEMBL1450897
Cas Number: 500147-07-9
PubChem CID: 3742880
Max Phase: Preclinical
Molecular Formula: C20H12O3
Molecular Weight: 300.31
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1c2ccccc2C(=O)C12OC2c1cccc2ccccc12
Standard InChI: InChI=1S/C20H12O3/c21-17-14-9-3-4-10-15(14)18(22)20(17)19(23-20)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,19H
Standard InChI Key: HQOXAKDEPRGBGD-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: 300.31 | Molecular Weight (Monoisotopic): 300.0786 | AlogP: 3.73 | #Rotatable Bonds: 1 |
| Polar Surface Area: 46.67 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.81 | CX LogD: 3.81 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: 0.40 |
| 1. PubChem BioAssay data set, |
Source(1):
