Molecule card · MolClass #42542
14726308
14726308: 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
- 14726308Mitochondrial Fusion · compound_name
- MolClass ID
- 42542
- InChIKey
- BQHJPIXMSPWLEJ-UHFFFAOYSA-N
- Canonical SMILES
- CCC14(CN3CC(CC)(CN(C1)C3(c2cccnc2))C4(=O))
- Standard InChI
- InChI=1S/C17H23N3O/c1-3-16-9-19-11-17(4-2,15(16)21)12-20(10-16)14(19)13-6-5-7-18-8-13/h5-8,14H,3-4,9-12H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)C2N3CC4[CH]C(C3)CN2C4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.899
- 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 · 14726308