Molecule card · MolClass #46894
24828882
24828882: 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
- 24828882Mitochondrial Fusion · compound_name
- MolClass ID
- 46894
- InChIKey
- QXXVLUHZNFQYLN-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)NC(=O)C(C)OC(=O)Cc1coc2cc3CCCc3(cc12)
- Standard InChI
- InChI=1S/C19H22N2O5/c1-3-20-19(24)21-18(23)11(2)26-17(22)9-14-10-25-16-8-13-6-4-5-12(13)7-15(14)16/h7-8,10-11H,3-6,9H2,1-2H3,(H2,20,21,23,24)
- Stored Murcko scaffold
- o1ccc2cc3c(cc12)CCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.872
- 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 · 24828882