Molecule card · MolClass #44117
24806179
24806179: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24806179Mitochondrial Fusion · compound_name
- MolClass ID
- 44117
- InChIKey
- WUNCZNUGWGRMKN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3n(N)c1ccccc1[n+]3(CC(=O)c2ccccc2)
- Standard InChI
- InChI=1S/C16H16N3O/c1-12-18(11-16(20)13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(12)17/h2-10H,11,17H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C[n+]2c[nH]c3ccccc32
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.889
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24806179