Molecule card · MolClass #43655
24833215
24833215: 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
- 24833215Mitochondrial Fusion · compound_name
- MolClass ID
- 43655
- InChIKey
- Not recorded
- Canonical SMILES
- C#CCOCCOCCOCCNc1nc(nc(n1)N2CCN(CC2)C(=O)C(Cc3cc4ccccc4([nH]3))n5cc(nn5)C(N)C(C)CC)N6CCN(CC6)C(=O)C(CCCCN)n7cc(nn7)C(N)CO
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(cc1)C[CH]N2CCN(c3ncnc(n3)N4CCN([CH]C(n5nncc5)Cc6cc7ccccc7[nH]6)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.
- 24834023#43653
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 21
- 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
- 300.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 997.204 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.742
- 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 · 24833215