Molecule card · MolClass #42130
24818418
24818418: 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
- 24818418Mitochondrial Fusion · compound_name
- MolClass ID
- 42130
- InChIKey
- ONWHQODUHXQAOS-UHFFFAOYSA-N
- Canonical SMILES
- NNc2ccc(Cc1ccc(cc1Cl)Cl)nn2
- Standard InChI
- InChI=1S/C11H10Cl2N4/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(15-14)17-16-9/h1-4,6H,5,14H2,(H,15,17)
- Stored Murcko scaffold
- n1nc(ccc1)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
- 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
- 63.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.13 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.51
- 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 · 24818418