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ID: ALA3212123
Max Phase: Preclinical
Molecular Formula: C16H27NO2
Molecular Weight: 265.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCNC1=C(C(=O)CCC)C(=O)CC(C)(C)C1
Standard InChI: InChI=1S/C16H27NO2/c1-5-7-9-17-12-10-16(3,4)11-14(19)15(12)13(18)8-6-2/h17H,5-11H2,1-4H3
Standard InChI Key: LNEHANBXOAZCRU-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 265.40 | Molecular Weight (Monoisotopic): 265.2042 | AlogP: 3.39 | #Rotatable Bonds: 7 |
| Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.43 | CX LogD: 3.43 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.57 | Np Likeness Score: 0.11 |
References
| 1. PubChem BioAssay data set, |
