ID: ALA1336152
Chembl Id: CHEMBL1336152
PubChem CID: 1263646
Max Phase: Preclinical
Molecular Formula: C18H16N2
Molecular Weight: 260.34
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc2cc3c(nc2c1)N(c1ccccc1)CC3
Standard InChI: InChI=1S/C18H16N2/c1-13-7-8-14-12-15-9-10-20(16-5-3-2-4-6-16)18(15)19-17(14)11-13/h2-8,11-12H,9-10H2,1H3
Standard InChI Key: UTHHQDVOUROPMB-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: 260.34 | Molecular Weight (Monoisotopic): 260.1313 | AlogP: 4.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 16.13 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 5.59 | CX LogP: 4.94 | CX LogD: 4.94 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.65 | Np Likeness Score: -1.22 |
| 1. PubChem BioAssay data set, |
Source(1):
