Molecule card · MolClass #41543
24815828
24815828: 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
- 24815828Mitochondrial Fusion · compound_name
- MolClass ID
- 41543
- InChIKey
- VMZPAAZGBQENBR-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2S(=O)(=O)C3=C(N)N(C)C(=O)N(C)C3(=O)
- Standard InChI
- InChI=1S/C15H18N4O4S/c1-9-8-10-6-4-5-7-11(10)19(9)24(22,23)12-13(16)17(2)15(21)18(3)14(12)20/h4-7,9H,8,16H2,1-3H3
- Stored Murcko scaffold
- n1cncc(SN2c3ccccc3CC2)c1
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
- 8
- 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
- 112.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.579
- 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 · 24815828