Molecule card · MolClass #39935
24819490
24819490: 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
- 24819490Mitochondrial Fusion · compound_name
- MolClass ID
- 39935
- InChIKey
- MSTPGDLNSPCRMX-NTCAYCPXSA-N
- Canonical SMILES
- O=S3(=O)(CCC(=NNc1ccccc1)c2ccsc23)
- Standard InChI
- InChI=1S/C13H12N2O2S2/c16-19(17)9-7-12(11-6-8-18-13(11)19)15-14-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2/b15-12+
- Stored Murcko scaffold
- N(Nc1ccccc1)=C2c3ccsc3SCC2
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.811
- 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 · 24819490