ID: ALA3193645
Chembl Id: CHEMBL3193645
PubChem CID: 5345863
Max Phase: Preclinical
Molecular Formula: C15H12N4O2
Molecular Weight: 280.29
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: NC(=O)N/N=C1\c2ccccc2-c2c(C(N)=O)cccc21
Standard InChI: InChI=1S/C15H12N4O2/c16-14(20)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)18-19-15(17)21/h1-7H,(H2,16,20)(H3,17,19,21)/b18-13+
Standard InChI Key: UICDAVFGTSJZOJ-QGOAFFKASA-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: 280.29 | Molecular Weight (Monoisotopic): 280.0960 | AlogP: 1.19 | #Rotatable Bonds: 2 |
| Polar Surface Area: 110.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.73 | CX Basic pKa: 1.17 | CX LogP: 1.05 | CX LogD: 1.05 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.61 | Np Likeness Score: -0.86 |
| 1. PubChem BioAssay data set, |
Source(1):
