Molecule card · MolClass #42561
24822304
24822304: 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
- 24822304Mitochondrial Fusion · compound_name
- MolClass ID
- 42561
- InChIKey
- MPXGMPRIJUTPCP-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nnc(CNc1ccc(cc1Cl)Cl)c3ccccc23
- Standard InChI
- InChI=1S/C15H11Cl2N3O/c16-9-5-6-13(12(17)7-9)18-8-14-10-3-1-2-4-11(10)15(21)20-19-14/h1-7,18H,8H2,(H,20,21)
- Stored Murcko scaffold
- n1nc(c2ccccc2c1)CNc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.174 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.217
- 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 · 24822304