Molecule card · MolClass #48630
7967056
7967056: 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
- 7967056Mitochondrial Fusion · compound_name
- MolClass ID
- 48630
- InChIKey
- KOQYAEBKNBEEHQ-SZXQPVLSSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)C(=O)c2ccc(cc2)CN=C3C(=O)C(O)=C3N4CCC(C)CC4
- Standard InChI
- InChI=1S/C26H33N3O5/c1-3-34-26(33)20-5-4-12-29(16-20)25(32)19-8-6-18(7-9-19)15-27-21-22(24(31)23(21)30)28-13-10-17(2)11-14-28/h6-9,17,20,31H,3-5,10-16H2,1-2H3/b27-21+
- Stored Murcko scaffold
- N(=C1[CH]C=C1N2CCCCC2)Cc3ccc(cc3)[CH]N4CCCCC4
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 467.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.653
- 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 · 7967056