Molecule card · MolClass #47952
24817040
24817040: 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
- 24817040Mitochondrial Fusion · compound_name
- MolClass ID
- 47952
- InChIKey
- PYWIWUYRHGVGRB-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CS(=O)(=O)CC1SC(N(C)C2CCS(=O)(=O)C2)=S
- Standard InChI
- InChI=1S/C11H17NO4S4/c1-8-5-20(15,16)7-10(8)18-11(17)12(2)9-3-4-19(13,14)6-9/h5,9-10H,3-4,6-7H2,1-2H3
- Stored Murcko scaffold
- [N]([CH]SC1C=CSC1)C2CSCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 145.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.641
- 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 · 24817040