Molecule card · MolClass #42150
24818999
24818999: 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
- 24818999Mitochondrial Fusion · compound_name
- MolClass ID
- 42150
- InChIKey
- OZIXZNTWDMHSAN-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C(=CN=C1N2(CCS1))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)10-7-14-12-15(11(10)16)5-6-17-12/h1-4,7H,5-6H2
- Stored Murcko scaffold
- N=1C=C([CH]N2C1SCC2)c3ccccc3
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.
- 24817797#29807
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.732 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.129
- 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 · 24818999