Molecule card · MolClass #43612
17507968
17507968: 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
- 17507968Mitochondrial Fusion · compound_name
- MolClass ID
- 43612
- InChIKey
- MTJIUPKCPMVMAP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N2c4ccccc4(C3=C(C2(C)(C))SSC3=S)
- Standard InChI
- InChI=1S/C19H17NO2S4/c1-12-8-10-13(11-9-12)26(21,22)20-15-7-5-4-6-14(15)16-17(19(20,2)3)24-25-18(16)23/h4-11H,1-3H3
- Stored Murcko scaffold
- S1SC2=C([CH]1)c3ccccc3N(Sc4ccccc4)C2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 419.609 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.634
- 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 · 17507968