Molecule card · MolClass #49197
24818858
24818858: 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
- 24818858Mitochondrial Fusion · compound_name
- MolClass ID
- 49197
- InChIKey
- RXAQMQYOIAFNIL-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c1nc(ncc1S(=O)(=O)c2ccc(C)cc2)c3ccccc3
- Standard InChI
- InChI=1S/C21H23N3O2S/c1-4-24(5-2)21-19(27(25,26)18-13-11-16(3)12-14-18)15-22-20(23-21)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)cnc1-c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.952
- 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 · 24818858