ID: ALA2007042
Chembl Id: CHEMBL2007042
PubChem CID: 358979
Max Phase: Preclinical
Molecular Formula: C17H24FNO
Molecular Weight: 277.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCC1CC(C(C)=O)CN1c1ccc(F)cc1
Standard InChI: InChI=1S/C17H24FNO/c1-3-4-5-6-17-11-14(13(2)20)12-19(17)16-9-7-15(18)8-10-16/h7-10,14,17H,3-6,11-12H2,1-2H3
Standard InChI Key: ZWJWTZRKDXRPPE-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: 277.38 | Molecular Weight (Monoisotopic): 277.1842 | AlogP: 4.19 | #Rotatable Bonds: 6 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.14 | CX LogP: 4.61 | CX LogD: 4.61 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.73 | Np Likeness Score: -0.48 |
| 1. PubChem BioAssay data set, |
Source(1):
