ID: ALA1384217
Chembl Id: CHEMBL1384217
PubChem CID: 1846544
Max Phase: Preclinical
Molecular Formula: C23H15N5O
Molecular Weight: 377.41
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Standard InChI: InChI=1S/C23H15N5O/c1-14-6-2-3-7-16(14)23(29)25-15-10-11-20-17(12-24)21-22(28(20)13-15)27-19-9-5-4-8-18(19)26-21/h2-11,13H,1H3,(H,25,29)
Standard InChI Key: LYQCYHWWVHIHES-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: 377.41 | Molecular Weight (Monoisotopic): 377.1277 | AlogP: 4.47 | #Rotatable Bonds: 2 |
| Polar Surface Area: 83.08 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.17 | CX LogD: 4.17 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.49 | Np Likeness Score: -1.53 |
| 1. PubChem BioAssay data set, |
Source(1):
