ID: ALA2380596
Chembl Id: CHEMBL2380596
PubChem CID: 71624717
Max Phase: Preclinical
Molecular Formula: C22H26N2O3
Molecular Weight: 366.46
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCOC(=O)O/N=C1\CC(c2ccccc2)N(C)C(c2ccccc2)C1C
Standard InChI: InChI=1S/C22H26N2O3/c1-4-26-22(25)27-23-19-15-20(17-11-7-5-8-12-17)24(3)21(16(19)2)18-13-9-6-10-14-18/h5-14,16,20-21H,4,15H2,1-3H3/b23-19+
Standard InChI Key: UUHAMEDAYLXZOH-FCDQGJHFSA-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: 366.46 | Molecular Weight (Monoisotopic): 366.1943 | AlogP: 4.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 51.13 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.63 | CX LogP: 5.41 | CX LogD: 4.16 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.44 | Np Likeness Score: -0.09 |
| 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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