Molecule card · MolClass #49417
24805369
24805369: 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
- 24805369Mitochondrial Fusion · compound_name
- MolClass ID
- 49417
- InChIKey
- USYPSOXZEGPBPI-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCC2CC(CC(=O)NC(Nc1ccccc1Cl)=S)C(=O)O2
- Standard InChI
- InChI=1S/C18H23ClN2O3S/c1-2-3-4-7-13-10-12(17(23)24-13)11-16(22)21-18(25)20-15-9-6-5-8-14(15)19/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H2,20,21,22,25)
- Stored Murcko scaffold
- O1[CH]C(C[CH]N[CH]Nc2ccccc2)CC1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.907 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.584
- 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 · 24805369