Molecule card · MolClass #39961
24807650
24807650: 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
- 24807650Mitochondrial Fusion · compound_name
- MolClass ID
- 39961
- InChIKey
- MMNRDPFBRPWSHY-UHFFFAOYSA-N
- Canonical SMILES
- O=S2(=O)(CC=C(CSC(NC1CCS(=O)(=O)C1)=S)C2)
- Standard InChI
- InChI=1S/C10H15NO4S4/c12-18(13)3-1-8(6-18)5-17-10(16)11-9-2-4-19(14,15)7-9/h1,9H,2-7H2,(H,11,16)
- Stored Murcko scaffold
- S([CH]NC1CSCC1)CC2=CCSC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 154.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.495 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.328
- 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 · 24807650