Molecule card · MolClass #45865
24784679
24784679: 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
- 24784679Mitochondrial Fusion · compound_name
- MolClass ID
- 45865
- InChIKey
- IQJZWXPNHQFPQX-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(OC1=NS(=O)(=O)c2ccccc12)
- Standard InChI
- InChI=1S/C14H11NO3S/c1-10-6-2-4-8-12(10)18-14-11-7-3-5-9-13(11)19(16,17)15-14/h2-9H,1H3
- 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
- 273.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.149
- 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 · 24784679