Molecule card · MolClass #49490
24798149
24798149: 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
- 24798149Mitochondrial Fusion · compound_name
- MolClass ID
- 49490
- InChIKey
- SMSPYSXTITXBLV-UHFFFAOYSA-N
- Canonical SMILES
- CCc2c(C)sc(NC(N1CC(C)OC(C)C1)=S)c2(C(=O)OC)
- Standard InChI
- InChI=1S/C16H24N2O3S2/c1-6-12-11(4)23-14(13(12)15(19)20-5)17-16(22)18-7-9(2)21-10(3)8-18/h9-10H,6-8H2,1-5H3,(H,17,22)
- Stored Murcko scaffold
- O1CCN([CH]Nc2sccc2)CC1
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
- 111.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.506 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.102
- 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 · 24798149