ID: ALA1603830
Chembl Id: CHEMBL1603830
PubChem CID: 16002336
Max Phase: Preclinical
Molecular Formula: C19H16N4
Molecular Weight: 300.37
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccccc1Nc1c(-c2ccccn2)nc2ccccn12
Standard InChI: InChI=1S/C19H16N4/c1-14-8-2-3-9-15(14)21-19-18(16-10-4-6-12-20-16)22-17-11-5-7-13-23(17)19/h2-13,21H,1H3
Standard InChI Key: AKCQHADOMNAQPG-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: 300.37 | Molecular Weight (Monoisotopic): 300.1375 | AlogP: 4.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 42.22 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.76 | CX LogP: 4.00 | CX LogD: 4.00 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.61 | Np Likeness Score: -2.09 |
| 1. PubChem BioAssay data set, |
Source(1):
