Molecule card · MolClass #45993
24837088
24837088: 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
- 24837088Mitochondrial Fusion · compound_name
- MolClass ID
- 45993
- InChIKey
- MFEZGDIPLXYJJD-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccc(cc1(N))S(=O)(=O)NC=2CCCCCN=2
- Standard InChI
- InChI=1S/C12H18N4O2S/c13-10-6-5-9(8-11(10)14)19(17,18)16-12-4-2-1-3-7-15-12/h5-6,8H,1-4,7,13-14H2,(H,15,16)
- Stored Murcko scaffold
- N1=C(NSc2ccccc2)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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 118.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.287
- 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 · 24837088