ID: ALA1312788
Chembl Id: CHEMBL1312788
PubChem CID: 1715236
Max Phase: Preclinical
Molecular Formula: C18H16O2
Molecular Weight: 264.32
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(C(=O)/C=C\C(=O)c2ccc(C)cc2)cc1
Standard InChI: InChI=1S/C18H16O2/c1-13-3-7-15(8-4-13)17(19)11-12-18(20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11-
Standard InChI Key: XHTZEZLDTOKEGI-QXMHVHEDSA-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: 264.32 | Molecular Weight (Monoisotopic): 264.1150 | AlogP: 3.93 | #Rotatable Bonds: 4 |
| Polar Surface Area: 34.14 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.49 | CX LogD: 4.49 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.62 | Np Likeness Score: -0.24 |
| 1. PubChem BioAssay data set, |
Source(1):
