Molecule card · MolClass #52010
7970944
7970944: 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
- 7970944Mitochondrial Fusion · compound_name
- MolClass ID
- 52010
- InChIKey
- UYQKRHCRASFKLS-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)SC2=NC=1CC(C)SC=1C(=O)N2(C)
- Standard InChI
- InChI=1S/C12H18N2OS2/c1-5-7(2)17-12-13-9-6-8(3)16-10(9)11(15)14(12)4/h7-8H,5-6H2,1-4H3
- Stored Murcko scaffold
- n1cnc2c(SCC2)c1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.036
- 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 · 7970944