Molecule card · MolClass #49211
24817656
24817656: 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
- 24817656Mitochondrial Fusion · compound_name
- MolClass ID
- 49211
- InChIKey
- DMCGEDUQPQSKBS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])CN3CCCCC3
- Standard InChI
- InChI=1S/C19H22N2O2S/c1-15-5-8-17(9-6-15)24-19-10-7-16(13-18(19)21(22)23)14-20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3
- Stored Murcko scaffold
- S(c1ccccc1)c2ccc(cc2)CN3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.161
- 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 · 24817656