Molecule card · MolClass #44475
24810879
24810879: 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
- 24810879Mitochondrial Fusion · compound_name
- MolClass ID
- 44475
- InChIKey
- UCFXLVSDEWKUNL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC(=O)C2CSC(C)(C)N2(C=O)
- Standard InChI
- InChI=1S/C14H18N2O3S/c1-14(2)16(9-17)12(8-20-14)13(18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,18)
- Stored Murcko scaffold
- [N]1CSCC1[CH]Nc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.652
- 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 · 24810879