Molecule card · MolClass #40856
24817121
24817121: 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
- 24817121Mitochondrial Fusion · compound_name
- MolClass ID
- 40856
- InChIKey
- NGLDIJPXISKSGB-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)c1nnsc1Sc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C11H10ClN3OS2/c1-15(2)10(16)9-11(18-14-13-9)17-8-5-3-7(12)4-6-8/h3-6H,1-2H3
- Stored Murcko scaffold
- n1ncc(s1)Sc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.724
- 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 · 24817121