Molecule card · MolClass #17989
1704559
1704559: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24804141Mitochondrial Fusion · compound_name
- MolClass ID
- 17989
- InChIKey
- ZORUVVLCXXISLU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)OC2=NS(=O)(=O)c3ccccc23
- Standard InChI
- InChI=1S/C15H13NO3S/c1-10-7-8-11(2)13(9-10)19-15-12-5-3-4-6-14(12)20(17,18)16-15/h3-9H,1-2H3
- Stored Murcko scaffold
- n1sc2ccccc2c1Oc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.052
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1704559
Mitochondrial Fusion
Dataset #19 · 24804141