Molecule card · MolClass #39668
24841561
24841561: 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
- 24841561Mitochondrial Fusion · compound_name
- MolClass ID
- 39668
- InChIKey
- Not recorded
- Canonical SMILES
- CCOC2OC(=CC(C1CC1)C2(CCCO))C(=O)NCc3nc4ccccc4([nH]3)
- Standard InChI
- null
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1CN[CH]C=3OCCC(C3)C4CC4
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.
- 24841660#41841
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.077
- 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 · 24841561