Molecule card · MolClass #43101
11533004
11533004: 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
- 11533004Mitochondrial Fusion · compound_name
- MolClass ID
- 43101
- InChIKey
- Not recorded
- Canonical SMILES
- CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)C(C)C)C(=O)NC(Cc2c[nH]cn2)C(=O)N4CCCC4(C(=O)NC(Cc3ccccc3)C(=O)O)
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]cc1CC([CH]N2CCCC2[CH]NCCc3ccccc3)N[CH]CN[CH]CCc4ccccc4
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
- 15
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 8
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 24
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 248.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 774.907 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.037
- 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 · 11533004