Molecule card · MolClass #49204
24818085
24818085: 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
- 24818085Mitochondrial Fusion · compound_name
- MolClass ID
- 49204
- InChIKey
- WSZFAMFCUKAGLB-UHFFFAOYSA-N
- Canonical SMILES
- CC(Oc1ccc(cc1Cl)Cl)c3ccnc2nc(nn23)N4CCOCC4
- Standard InChI
- InChI=1S/C17H17Cl2N5O2/c1-11(26-15-3-2-12(18)10-13(15)19)14-4-5-20-16-21-17(22-24(14)16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3
- Stored Murcko scaffold
- n1ccc(n2nc(nc12)N3CCOCC3)COc4ccccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.578
- 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 · 24818085