Molecule card · MolClass #42375
24836248
24836248: 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
- 24836248Mitochondrial Fusion · compound_name
- MolClass ID
- 42375
- InChIKey
- HNEFOAPQQUUYRC-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccccc1N(C(C)=O)c2nc(CCl)cs2
- Standard InChI
- InChI=1S/C14H15ClN2OS/c1-3-11-6-4-5-7-13(11)17(10(2)18)14-16-12(8-15)9-19-14/h4-7,9H,3,8H2,1-2H3
- Stored Murcko scaffold
- n1ccsc1[N]c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.801 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.033
- 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 · 24836248