ID: ALA3942898
Chembl Id: CHEMBL3942898
PubChem CID: 71061611
Max Phase: Preclinical
Molecular Formula: C21H25FN2O2
Molecular Weight: 356.44
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1
Standard InChI: InChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1
Standard InChI Key: RTXIZQIIOLWLRO-FQEVSTJZSA-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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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 356.44 | Molecular Weight (Monoisotopic): 356.1900 | AlogP: 2.97 | #Rotatable Bonds: 6 |
| Polar Surface Area: 24.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.91 | CX LogP: 3.77 | CX LogD: 3.65 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -1.42 |
| 1. (2015) Morpholino compounds, uses and methods, |
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