Molecule card · MolClass #37617
22403918
22403918: 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
- 22403918Mitochondrial Fusion · compound_name
- MolClass ID
- 37617
- InChIKey
- CMUQFECVLNBHSH-PEZBUJJGSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)ON=C2C=CC(=O)C(C)=C2(C)
- Standard InChI
- InChI=1S/C15H15NO4S/c1-10-4-6-13(7-5-10)21(18,19)20-16-14-8-9-15(17)12(3)11(14)2/h4-9H,1-3H3/b16-14-
- Stored Murcko scaffold
- N(OSc1ccccc1)=C2C=C[CH]C=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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.952
- 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 · 22403918