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ID: ALA2272518
Max Phase: Preclinical
Molecular Formula: C19H22N2O2
Molecular Weight: 310.40
Molecule Type: Small molecule
Associated Items:
ID: ALA2272518
Max Phase: Preclinical
Molecular Formula: C19H22N2O2
Molecular Weight: 310.40
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCOc1ccc2c(c1)CN1CN2Cc2cc(OCC)ccc21
Standard InChI: InChI=1S/C19H22N2O2/c1-3-22-16-5-7-18-14(9-16)11-20-13-21(18)12-15-10-17(23-4-2)6-8-19(15)20/h5-10H,3-4,11-13H2,1-2H3
Standard InChI Key: PNPFDNWXTXUVJL-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: 310.40 | Molecular Weight (Monoisotopic): 310.1681 | AlogP: 3.78 | #Rotatable Bonds: 4 |
Polar Surface Area: 24.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
#RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.00 | CX LogD: 4.00 |
Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.86 | Np Likeness Score: -0.37 |
1. Thirunarayanan G. (2012) Antimicrobial and insect antifeedant activities of some Trogers bases, [10.1016/j.arabjc.2012.10.025] |
Source(1):