Molecule card · MolClass #46087
24834012
24834012: 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
- 24834012Mitochondrial Fusion · compound_name
- MolClass ID
- 46087
- InChIKey
- Not recorded
- Canonical SMILES
- C#CCOCCOCCOCCNc1nc(nc(n1)N2CCN(CC2)C(=O)C(Cc3cc4ccccc4([nH]3))n5cc(nn5)C(N)CC(C)C)N6CCOCC6
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(cc1)C([CH]N2CCN(c3ncnc(n3)N4CCOCC4)CC2)Cc5cc6ccccc6[nH]5
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.
- 24834005#46086
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 15
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 21
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 186.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 758.914 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.769
- 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 · 24834012