ID: ALA1509316
Chembl Id: CHEMBL1509316
Cas Number: 301227-55-4
PubChem CID: 2851045
Max Phase: Preclinical
Molecular Formula: C18H12N2O2
Molecular Weight: 288.31
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1c2cccc3cccc(c23)C(=O)N1Cc1cccnc1
Standard InChI: InChI=1S/C18H12N2O2/c21-17-14-7-1-5-13-6-2-8-15(16(13)14)18(22)20(17)11-12-4-3-9-19-10-12/h1-10H,11H2
Standard InChI Key: JFDGJKJWPSCYBK-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 288.31 | Molecular Weight (Monoisotopic): 288.0899 | AlogP: 3.03 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 4.81 | CX LogP: 2.41 | CX LogD: 2.41 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.68 | Np Likeness Score: -1.01 |
| 1. PubChem BioAssay data set, |
Source(1):
