Molecule card · MolClass #38764
7974650
7974650: 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
- 7974650Mitochondrial Fusion · compound_name
- MolClass ID
- 38764
- InChIKey
- NSBQCEKMNRULSR-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN3C(=O)C4ON(c1ccccc1(C))C(c2ccco2)C4(C3(=O))
- Standard InChI
- InChI=1S/C20H22N2O4/c1-3-4-11-21-19(23)16-17(15-10-7-12-25-15)22(26-18(16)20(21)24)14-9-6-5-8-13(14)2/h5-10,12,16-18H,3-4,11H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]C2ON(c3ccccc3)C(c4occc4)C2[CH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.218
- 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 · 7974650