ID: ALA1524956
Chembl Id: CHEMBL1524956
PubChem CID: 2948951
Max Phase: Preclinical
Molecular Formula: C24H21N3
Molecular Weight: 351.45
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21
Standard InChI: InChI=1S/C24H21N3/c1-26-15-19(17-9-3-5-12-22(17)26)24(21-11-7-8-14-25-21)20-16-27(2)23-13-6-4-10-18(20)23/h3-16,24H,1-2H3
Standard InChI Key: NLKWVANPOBBPAE-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: 351.45 | Molecular Weight (Monoisotopic): 351.1735 | AlogP: 5.25 | #Rotatable Bonds: 3 |
| Polar Surface Area: 22.75 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.93 | CX LogP: 5.04 | CX LogD: 5.04 |
| Aromatic Rings: 5 | Heavy Atoms: 27 | QED Weighted: 0.44 | Np Likeness Score: -0.66 |
| 1. PubChem BioAssay data set, |
Source(1):
