ID: ALA2380592
Chembl Id: CHEMBL2380592
PubChem CID: 73348834
Max Phase: Preclinical
Molecular Formula: C21H26N2O
Molecular Weight: 322.45
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)C1/C(=N/O)CC(c2ccccc2)N(C)C1c1ccccc1
Standard InChI: InChI=1S/C21H26N2O/c1-15(2)20-18(22-24)14-19(16-10-6-4-7-11-16)23(3)21(20)17-12-8-5-9-13-17/h4-13,15,19-21,24H,14H2,1-3H3/b22-18+
Standard InChI Key: HUFNNJRVQABNLK-RELWKKBWSA-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 322.45 | Molecular Weight (Monoisotopic): 322.2045 | AlogP: 4.91 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.83 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.23 | CX Basic pKa: 9.03 | CX LogP: 5.03 | CX LogD: 3.37 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.64 | Np Likeness Score: 0.10 |
| 1. Sivakumar R, krishnan KG, Thanikachalam V.. (2013) Synthesis, spectral and antimicrobial evaluation of some novel 1-methyl-3-alkyl-2,6-diphenylpiperidin-4-one oxime carbonates., 23 (11): [PMID:23639539] [10.1016/j.bmcl.2013.04.005] |
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