Molecule card · MolClass #49606
24792359
24792359: 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
- 24792359Mitochondrial Fusion · compound_name
- MolClass ID
- 49606
- InChIKey
- QVGPTFJVVDPZLT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1N2CCN(CC2)S(=O)(=O)N3CCCCC3)Cl
- Standard InChI
- InChI=1S/C16H24ClN3O2S/c1-14-5-6-15(17)13-16(14)18-9-11-20(12-10-18)23(21,22)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
- Stored Murcko scaffold
- S(N1CCN(c2ccccc2)CC1)N3CCCCC3
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.
- 24787220#49696
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.9 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.867
- 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 · 24792359