Molecule card · MolClass #40111
24833351
24833351: 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
- 24833351Mitochondrial Fusion · compound_name
- MolClass ID
- 40111
- InChIKey
- VSTZPUUKSZDIDB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)S(=O)(=O)NNC(=O)Cc2cccn2(C)
- Standard InChI
- InChI=1S/C14H17N3O3S/c1-11-5-3-7-13(9-11)21(19,20)16-15-14(18)10-12-6-4-8-17(12)2/h3-9,16H,10H2,1-2H3,(H,15,18)
- Stored Murcko scaffold
- S(NN[CH]Cc1ccc[nH]1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.21
- 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 · 24833351