Molecule card · MolClass #37377
17515372
17515372: 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
- 17515372Mitochondrial Fusion · compound_name
- MolClass ID
- 37377
- InChIKey
- PJQBNQWXRQYSNG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)C4C(=O)NC2(C)(CC4(c3ccccc3(O2)))
- Standard InChI
- InChI=1S/C19H19NO4S/c1-12-7-9-13(10-8-12)25(22,23)17-15-11-19(2,20-18(17)21)24-16-6-4-3-5-14(15)16/h3-10,15,17H,11H2,1-2H3,(H,20,21)
- Stored Murcko scaffold
- O1c2ccccc2C3CC1N[CH]C3Sc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.797
- 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 · 17515372