Molecule card · MolClass #44397
24825703
24825703: 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
- 24825703Mitochondrial Fusion · compound_name
- MolClass ID
- 44397
- InChIKey
- ORNAVESLKQKKHV-UHFFFAOYSA-N
- Canonical SMILES
- CCc1cc(C(=O)NNC(=O)CCl)sc1(C)
- Standard InChI
- InChI=1S/C10H13ClN2O2S/c1-3-7-4-8(16-6(7)2)10(15)13-12-9(14)5-11/h4H,3,5H2,1-2H3,(H,12,14)(H,13,15)
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.742 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.1
- 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 · 24825703