Molecule card · MolClass #51184
17402625
17402625: 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
- 17402625Mitochondrial Fusion · compound_name
- MolClass ID
- 51184
- InChIKey
- DEAUJTDWFWZDHU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)c3c(C)cc(C)nc3(Oc2cccc(C)c2(C))
- Standard InChI
- InChI=1S/C22H23NO3S/c1-14-9-11-19(12-10-14)27(24,25)21-16(3)13-17(4)23-22(21)26-20-8-6-7-15(2)18(20)5/h6-13H,1-5H3
- Stored Murcko scaffold
- n1cccc(Sc2ccccc2)c1Oc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.594
- 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 · 17402625