Molecule card · MolClass #52552
24794255
24794255: 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
- 24794255Mitochondrial Fusion · compound_name
- MolClass ID
- 52552
- InChIKey
- IIBGMLFTVJEWFU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1Cl)CSCCNC(Nc2ccccc2)=S
- Standard InChI
- InChI=1S/C17H19ClN2OS2/c1-21-16-8-7-13(11-15(16)18)12-23-10-9-19-17(22)20-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22)
- Stored Murcko scaffold
- S(Cc1ccccc1)CCN[CH]Nc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.931 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.709
- 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 · 24794255