Molecule card · MolClass #49696
24787220
24787220: 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
- 24787220Mitochondrial Fusion · compound_name
- MolClass ID
- 49696
- InChIKey
- LDYQUWYSUXJHLR-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(N1CCCCC1)N2CCN(CC2)c3cc(ccc3Cl)Cl
- Standard InChI
- InChI=1S/C15H21Cl2N3O2S/c16-13-4-5-14(17)15(12-13)18-8-10-20(11-9-18)23(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11H2
- 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.
- 24792359#49606
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
- 378.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.263
- 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 · 24787220