Molecule card · MolClass #42287
24795393
24795393: 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
- 24795393Mitochondrial Fusion · compound_name
- MolClass ID
- 42287
- InChIKey
- SYQIVUKBQLCITF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NNC=2CCCCCN=2
- Standard InChI
- InChI=1S/C13H19N3O2S/c1-11-6-8-12(9-7-11)19(17,18)16-15-13-5-3-2-4-10-14-13/h6-9,16H,2-5,10H2,1H3,(H,14,15)
- Stored Murcko scaffold
- N1=C(NNSc2ccccc2)CCCCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.84
- 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 · 24795393