Molecule card · MolClass #41440
4241590
4241590: 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
- 4241590Mitochondrial Fusion · compound_name
- MolClass ID
- 41440
- InChIKey
- SKAZUZUAPBSAJR-UHFFFAOYSA-N
- Canonical SMILES
- CC(NC(=O)OCc1ccccc1)C(=O)N2CC(O)CC2(C(=O)O)
- Standard InChI
- InChI=1S/C16H20N2O6/c1-10(14(20)18-8-12(19)7-13(18)15(21)22)17-16(23)24-9-11-5-3-2-4-6-11/h2-6,10,12-13,19H,7-9H2,1H3,(H,17,23)(H,21,22)
- Stored Murcko scaffold
- O([CH]NC[CH]N1CCCC1)Cc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.392
- 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 · 4241590