Molecule card · MolClass #38014
24819880
24819880: 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
- 24819880Mitochondrial Fusion · compound_name
- MolClass ID
- 38014
- InChIKey
- LVJKNCGAXLDSGQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Sc2nc(O)c1c(ccs1)n2
- Standard InChI
- InChI=1S/C9H10N2OS2/c1-5(2)14-9-10-6-3-4-13-7(6)8(12)11-9/h3-5H,1-2H3,(H,10,11,12)
- Stored Murcko scaffold
- n1cnc2ccsc2c1
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
- 3
- 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
- 99.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.401
- 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 · 24819880