ID: ALA1484256
Chembl Id: CHEMBL1484256
PubChem CID: 1265420
Max Phase: Preclinical
Molecular Formula: C20H23N3O3
Molecular Weight: 353.42
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1
Standard InChI: InChI=1S/C20H23N3O3/c1-22-10-12-23(13-11-22)20(25)16-4-3-5-17(14-16)21-19(24)15-6-8-18(26-2)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,21,24)
Standard InChI Key: FNVJXEFJVCULEX-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: 353.42 | Molecular Weight (Monoisotopic): 353.1739 | AlogP: 2.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 61.88 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.83 | CX LogP: 2.05 | CX LogD: 1.95 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.92 | Np Likeness Score: -1.56 |
| 1. PubChem BioAssay data set, |
Source(1):
