ID: ALA1872287
Chembl Id: CHEMBL1872287
Cas Number: 694488-00-1
PubChem CID: 2947414
Max Phase: Preclinical
Molecular Formula: C15H14N4O
Molecular Weight: 266.30
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(OCc2nnnn2-c2ccccc2)cc1
Standard InChI: InChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Standard InChI Key: SLPOHMVMCZWHDR-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: 266.30 | Molecular Weight (Monoisotopic): 266.1168 | AlogP: 2.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.73 | Np Likeness Score: -2.30 |
| 1. PubChem BioAssay data set, |
Source(1):
