Molecule card · MolClass #42742
7973343
7973343: 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
- 7973343Mitochondrial Fusion · compound_name
- MolClass ID
- 42742
- InChIKey
- UNSVBIQMIGGMDJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C14(CN3CC(CN(C1)C3(c2ccccc2))(C(C)C)C4(O))
- Standard InChI
- InChI=1S/C20H30N2O/c1-14(2)19-10-21-12-20(15(3)4,18(19)23)13-22(11-19)17(21)16-8-6-5-7-9-16/h5-9,14-15,17-18,23H,10-13H2,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)C2N3CC4CN2CC(C3)C4
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
- 3
- 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
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.466 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.972
- 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 · 7973343