Molecule card · MolClass #41870
4246586
4246586: 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
- 4246586Mitochondrial Fusion · compound_name
- MolClass ID
- 41870
- InChIKey
- RHNCAHPBAKEEPE-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(NC(=O)C(=N1)c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C11H11ClN2O/c1-11(2)13-9(10(15)14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,14,15)
- Stored Murcko scaffold
- N1=C([CH]NC1)c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.671 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.434
- 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 · 4246586