Molecule card · MolClass #36864
4243563
4243563: 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
- 4243563Mitochondrial Fusion · compound_name
- MolClass ID
- 36864
- InChIKey
- JAQGEGJZBQCNKL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cn1cc2CCCCCc2(n1)
- Standard InChI
- InChI=1S/C10H14N2O2/c13-10(14)7-12-6-8-4-2-1-3-5-9(8)11-12/h6H,1-5,7H2,(H,13,14)
- Stored Murcko scaffold
- n1[nH]cc2c1CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.483
- 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 · 4243563