Molecule card · MolClass #41809
24831772
24831772: 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
- 24831772Mitochondrial Fusion · compound_name
- MolClass ID
- 41809
- InChIKey
- MSGMVBJBWYEAQT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)NC(=C(C(=O)c2ccc(cc2Cl)Cl)[n+]3ccccc3)[S-]
- Standard InChI
- InChI=1S/C22H18Cl2N2OS/c1-14-10-15(2)12-17(11-14)25-22(28)20(26-8-4-3-5-9-26)21(27)18-7-6-16(23)13-19(18)24/h3-13H,1-2H3,(H-,25,27,28)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C(=CNc2ccccc2)[n+]3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.821
- 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 · 24831772