Molecule card · MolClass #46774
24803598
24803598: 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
- 24803598Mitochondrial Fusion · compound_name
- MolClass ID
- 46774
- InChIKey
- LJPMGGAOWNUDQG-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1C(=NCC(=O)N(CC(=O)OC)c1s2)c3ccccc3(OC)
- Standard InChI
- InChI=1S/C19H20N2O4S/c1-4-12-9-14-18(13-7-5-6-8-15(13)24-2)20-10-16(22)21(19(14)26-12)11-17(23)25-3/h5-9H,4,10-11H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]CN=C(c2ccccc2)c3ccsc13
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.
- 124973749#25078
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.678
- 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 · 24803598