Molecule card · MolClass #35997
24819010
24819010: 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
- 24819010Mitochondrial Fusion · compound_name
- MolClass ID
- 35997
- InChIKey
- DQPNFSVKZQFQBK-FMIVXFBMSA-N
- Canonical SMILES
- O=C(ON=C2CCS(=O)(=O)c1c2(ccs1))C3CC3
- Standard InChI
- InChI=1S/C11H11NO4S2/c13-10(7-1-2-7)16-12-9-4-6-18(14,15)11-8(9)3-5-17-11/h3,5,7H,1-2,4,6H2/b12-9+
- Stored Murcko scaffold
- N(O[CH]C1CC1)=C2c3ccsc3SCC2
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
- 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
- 109.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.102
- 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 · 24819010