Molecule card · MolClass #52226
3716599
3716599: 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
- 3716599Mitochondrial Fusion · compound_name
- MolClass ID
- 52226
- InChIKey
- IZTKXMAXDZYMPH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(=O)C45(CC3CC(CC(C3)C4)C5)
- Standard InChI
- InChI=1S/C23H32N2O/c1-16-4-3-5-21(17(16)2)24-6-8-25(9-7-24)22(26)23-13-18-10-19(14-23)12-20(11-18)15-23/h3-5,18-20H,6-15H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN([CH]C34CC5CC(CC(C5)C3)C4)CC2
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
- 3
- 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
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.404
- 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 · 3716599