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ID: ALA2252627
Max Phase: Preclinical
Molecular Formula: C18H34N2O2
Molecular Weight: 310.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCON=C1CCCCCCCCCCC(=O)NCCC1
Standard InChI: InChI=1S/C18H34N2O2/c1-2-16-22-20-17-12-9-7-5-3-4-6-8-10-14-18(21)19-15-11-13-17/h2-16H2,1H3,(H,19,21)
Standard InChI Key: RIDILXJDPSBBQW-UHFFFAOYSA-N
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: 310.48 | Molecular Weight (Monoisotopic): 310.2620 | AlogP: 4.58 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.74 | CX LogP: 4.40 | CX LogD: 4.40 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.61 | Np Likeness Score: -0.31 |
References
| 1. Huang JX, Jia YM, Liang XM, Zhu WJ, Zhang JJ, Dong YH, Yuan HZ, Qi SH, Wu JP, Chen FH, Wang DQ.. (2007) Synthesis and fungicidal activity of macrolactams and macrolactones with an oxime ether side chain., 55 (26): [PMID:18052123] [10.1021/jf072733+] |
| 2. Huang JX, Liang XM, Zhang JJ, Yan XJ, Dong YH, Li CS, Zhang LP, Xu ZT, Li L, Yuan HZ, Qi SH, Chen FH, Wang DQ.. (2009) Fungicidal activity of 12-propoxyimino-1, 15-pentadecanlactam on selected crops, 28 (11): [10.1016/j.cropro.2009.07.017] |
| 3. Huang JX, Liang XM, Zhang JJ, Yan XJ, Dong YH, Li CS, Zhang LP, Xu ZT, Li L, Yuan HZ, Qi SH, Chen FH, Wang DQ.. (2009) Fungicidal activity of 12-propoxyimino-1, 15-pentadecanlactam on selected crops, 28 (11): [10.1016/j.cropro.2009.07.017] |
| 4. Huang JX, Liang XM, Zhang JJ, Yan XJ, Dong YH, Li CS, Zhang LP, Xu ZT, Li L, Yuan HZ, Qi SH, Chen FH, Wang DQ.. (2009) Fungicidal activity of 12-propoxyimino-1, 15-pentadecanlactam on selected crops, 28 (11): [10.1016/j.cropro.2009.07.017] |
