Molecule card · MolClass #40149
24799867
24799867: 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
- 24799867Mitochondrial Fusion · compound_name
- MolClass ID
- 40149
- InChIKey
- Not recorded
- Canonical SMILES
- COc1ccc(cc1(F))c4[nH]ncc4(CN2CCN(C(=O)C2)C3CCCCC3)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc(c([nH]1)-c2ccccc2)CN3C[CH]N(CC3)C4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.459
- 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 · 24799867