Molecule card · MolClass #35562
856526
856526: 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
- 856526Mitochondrial Fusion · compound_name
- MolClass ID
- 35562
- InChIKey
- Not recorded
- Canonical SMILES
- CC1(C)(Cc3c(CO1)[nH]c2nc(n4cnnc4(c23))SC)
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc2c3c(ncn2c1)[nH]c4c3CCOC4
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.
- 856526#25527
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 93.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.503
- 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 · 856526