Molecule card · MolClass #45840
24834068
24834068: 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
- 24834068Mitochondrial Fusion · compound_name
- MolClass ID
- 45840
- InChIKey
- Not recorded
- Canonical SMILES
- C#CCOCCOCCOCCNc1nc(nc(n1)N2CCN(CC2)C(=O)C(Cc3cc4ccccc4([nH]3))n5cc(nn5)C(N)Cc6ccc(O)cc6)N7CCN(CC7)C(=O)C(CCC(=O)O)n8cc(nn8)C(N)CC(C)C
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(cc1)C[CH]N2CCN(c3ncnc(n3)N4CCN([CH]C(n5nnc(c5)CCc6ccccc6)Cc7cc8ccccc8[nH]7)CC4)CC2
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
- 22
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 6
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 30
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 312.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 1074.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.724
- 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 · 24834068