Molecule card · MolClass #38704
24708101
24708101: 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
- 24708101Mitochondrial Fusion · compound_name
- MolClass ID
- 38704
- InChIKey
- Not recorded
- Canonical SMILES
- COC(=O)C(Cc1c[nH]c2ccccc12)n3cc(nn3)c4cc(cc(c4)C(=O)N5CCNCC5)c6cn(nn6)C(CC(C)C)C(=O)O
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc(c[nH]1)-c2cc(cc(c2)-c3nnn(c3)CCc4c[nH]c5ccccc54)[CH]N6CCNCC6
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 11
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 13
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 173.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 639.705 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.88
- 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 · 24708101