Molecule card · MolClass #50333
17515445
17515445: 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
- 17515445Mitochondrial Fusion · compound_name
- MolClass ID
- 50333
- InChIKey
- RQQJGRPBADURDQ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc2ncc(c(c2(c1))N3CCCC3)S(=O)(=O)c4ccc(C)c(C)c4
- Standard InChI
- InChI=1S/C23H26N2O2S/c1-4-18-8-10-21-20(14-18)23(25-11-5-6-12-25)22(15-24-21)28(26,27)19-9-7-16(2)17(3)13-19/h7-10,13-15H,4-6,11-12H2,1-3H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)c(c3ccccc13)N4CCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.709
- 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 · 17515445