ID: ALA519873
Chembl Id: CHEMBL519873
Cas Number: 175013-18-0
PubChem CID: 6422843
Product Number: P114453
Max Phase: Preclinical
Molecular Formula: C19H18ClN3O4
Molecular Weight: 387.82
Molecule Type: Small molecule
Associated Items:
Synonyms: Show More⌵
Canonical SMILES: COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1
Standard InChI: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
Standard InChI Key: HZRSNVGNWUDEFX-UHFFFAOYSA-N
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| Natural Product: Yes | 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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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 387.82 | Molecular Weight (Monoisotopic): 387.0986 | AlogP: 4.24 | #Rotatable Bonds: 6 |
| Polar Surface Area: 65.82 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.40 | CX LogP: 4.70 | CX LogD: 4.70 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.59 | Np Likeness Score: -1.57 |
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