Molecule card · MolClass #41971
24812206
24812206: 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
- 24812206Mitochondrial Fusion · compound_name
- MolClass ID
- 41971
- InChIKey
- JISYWDDWTODOPY-UHFFFAOYSA-N
- Canonical SMILES
- CC4=C(NC(=O)COc2cccc1CC(C)(C)Oc12)C(=O)N(c3ccccc3)N4(C)
- Standard InChI
- InChI=1S/C23H25N3O4/c1-15-20(22(28)26(25(15)4)17-10-6-5-7-11-17)24-19(27)14-29-18-12-8-9-16-13-23(2,3)30-21(16)18/h5-12H,13-14H2,1-4H3,(H,24,27)
- Stored Murcko scaffold
- O(c1cccc2c1OCC2)C[CH]NC3=CNN([CH]3)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.098
- 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 · 24812206