Molecule card · MolClass #48563
24820351
24820351: 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
- 24820351Mitochondrial Fusion · compound_name
- MolClass ID
- 48563
- InChIKey
- KHQHWQNZCRFDDR-UHFFFAOYSA-N
- Canonical SMILES
- CNc1nc(nc(n1)Sc2nc(C)cc(C)n2)Cl
- Standard InChI
- InChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)
- Stored Murcko scaffold
- n1cnc(nc1)Sc2ncccn2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.754 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.694
- 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 · 24820351