ID: ALA1388159
Chembl Id: CHEMBL1388159
PubChem CID: 2817968
Max Phase: Preclinical
Molecular Formula: C15H10N2O
Molecular Weight: 234.26
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(c1ccccn1)c1ccc2ccccc2n1
Standard InChI: InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H
Standard InChI Key: NCTFUSHEDTZFOU-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: 234.26 | Molecular Weight (Monoisotopic): 234.0793 | AlogP: 2.86 | #Rotatable Bonds: 2 |
| Polar Surface Area: 42.85 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 2.20 | CX LogP: 3.14 | CX LogD: 3.14 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.64 | Np Likeness Score: -0.96 |
| 1. PubChem BioAssay data set, |
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