Molecule card · MolClass #36936
24806659
24806659: 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
- 24806659Mitochondrial Fusion · compound_name
- MolClass ID
- 36936
- InChIKey
- KWUUNRZXTRZCNH-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(COC4(OC1)(C(=O)N(CN2CCOCC2)c3ccccc34))
- Standard InChI
- InChI=1S/C18H24N2O4/c1-17(2)11-23-18(24-12-17)14-5-3-4-6-15(14)20(16(18)21)13-19-7-9-22-10-8-19/h3-6H,7-13H2,1-2H3
- Stored Murcko scaffold
- O1CCN(CN2[CH]C3(OCCCO3)c4ccccc42)CC1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.921
- 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 · 24806659