Molecule card · MolClass #46304
24782584
24782584: 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
- 24782584Mitochondrial Fusion · compound_name
- MolClass ID
- 46304
- InChIKey
- OLKPYROJCKADER-MDZDMXLPSA-N
- Canonical SMILES
- C=CCN2C=CC=CC2(=C1C(=O)N(C)C(=S)S1)
- Standard InChI
- InChI=1S/C12H12N2OS2/c1-3-7-14-8-5-4-6-9(14)10-11(15)13(2)12(16)17-10/h3-6,8H,1,7H2,2H3/b10-9+
- Stored Murcko scaffold
- [N]1[CH]SC([CH]1)=C2C=CC=CN2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.593
- 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 · 24782584