Molecule card · MolClass #48950
24831526
24831526: 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
- 24831526Mitochondrial Fusion · compound_name
- MolClass ID
- 48950
- InChIKey
- VRXJWSOEZTVMDO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(csc2(NC(=O)CN1CCCCC1))c3ccc(C)o3
- Standard InChI
- InChI=1S/C19H24N2O4S/c1-3-24-19(23)17-14(15-8-7-13(2)25-15)12-26-18(17)20-16(22)11-21-9-5-4-6-10-21/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,22)
- Stored Murcko scaffold
- o1cccc1-c2csc(c2)N[CH]CN3CCCCC3
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.472 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.594
- 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 · 24831526