Molecule card · MolClass #49098
24825369
24825369: 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
- 24825369Mitochondrial Fusion · compound_name
- MolClass ID
- 49098
- InChIKey
- LZDQKUCBJSPLPJ-YBEGLDIGSA-N
- Canonical SMILES
- CN3c1ccccc1C(C)(C)C3(=CC(=O)COC(=O)c2ccc(o2)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C19H18N2O6/c1-19(2)13-6-4-5-7-14(13)20(3)16(19)10-12(22)11-26-18(23)15-8-9-17(27-15)21(24)25/h4-10H,11H2,1-3H3/b16-10-
- Stored Murcko scaffold
- o1cccc1[CH]OC[CH]C=C2Nc3ccccc3C2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.289
- 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 · 24825369