ID: ALA1606122
Chembl Id: CHEMBL1606122
PubChem CID: 776361
Max Phase: Preclinical
Molecular Formula: C16H12N2O2
Molecular Weight: 264.28
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNc1ccc2noc3c2c1C(=O)c1ccccc1-3
Standard InChI: InChI=1S/C16H12N2O2/c1-2-17-11-7-8-12-14-13(11)15(19)9-5-3-4-6-10(9)16(14)20-18-12/h3-8,17H,2H2,1H3
Standard InChI Key: HUALQAGSQPUHSR-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: 264.28 | Molecular Weight (Monoisotopic): 264.0899 | AlogP: 3.47 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.13 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 2.52 | CX LogP: 3.25 | CX LogD: 3.25 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.60 | Np Likeness Score: -0.69 |
| 1. PubChem BioAssay data set, |
Source(1):
