Molecule card · MolClass #49418
24806607
24806607: 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
- 24806607Mitochondrial Fusion · compound_name
- MolClass ID
- 49418
- InChIKey
- JWVZTZOXYYWLSE-UHFFFAOYSA-N
- Canonical SMILES
- COc4ccc(C1CC(C)(Nc2ccccc2(N1))c3ccc(cc3(OC))OC)c(c4)OC
- Standard InChI
- InChI=1S/C26H30N2O4/c1-26(20-13-11-18(30-3)15-25(20)32-5)16-23(27-21-8-6-7-9-22(21)28-26)19-12-10-17(29-2)14-24(19)31-4/h6-15,23,27-28H,16H2,1-5H3
- Stored Murcko scaffold
- c1ccc(cc1)C2Nc3ccccc3NC(c4ccccc4)C2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.528 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.858
- 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 · 24806607