Molecule card · MolClass #46389
22406945
22406945: 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
- 22406945Mitochondrial Fusion · compound_name
- MolClass ID
- 46389
- InChIKey
- DOLPHFLTKWHGOO-UHFFFAOYSA-N
- Canonical SMILES
- N=C1N(C=CS1)Cc2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C10H8Cl2N2S/c11-8-2-1-7(9(12)5-8)6-14-3-4-15-10(14)13/h1-5,13H,6H2
- Stored Murcko scaffold
- S1C=CN([CH]1)Cc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.156 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.502
- 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 · 22406945