Molecule card · MolClass #45577
24791115
24791115: 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
- 24791115Mitochondrial Fusion · compound_name
- MolClass ID
- 45577
- InChIKey
- IIBJCWWWBVQCKY-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCN=C1SCc3cccc2ccccc23
- Standard InChI
- InChI=1S/C17H20N2O2S2/c1-2-12-23(20,21)19-11-10-18-17(19)22-13-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,2,10-13H2,1H3
- Stored Murcko scaffold
- N1=C(SCc2cccc3ccccc32)NCC1
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
- 83.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.19
- 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 · 24791115