Molecule card · MolClass #52155
4248124
4248124: 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
- 4248124Mitochondrial Fusion · compound_name
- MolClass ID
- 52155
- InChIKey
- XRULWVRKNKGXKL-UHFFFAOYSA-N
- Canonical SMILES
- COCCN3Cc2cccc(C(=O)NC1CCCCCC1)c2C3(=O)
- Standard InChI
- InChI=1S/C19H26N2O3/c1-24-12-11-21-13-14-7-6-10-16(17(14)19(21)23)18(22)20-15-8-4-2-3-5-9-15/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,20,22)
- Stored Murcko scaffold
- [N]1[CH]c2c(cccc2C1)[CH]NC3CCCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.869
- 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 · 4248124