Molecule card · MolClass #42471
865053
865053: 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
- 865053Mitochondrial Fusion · compound_name
- MolClass ID
- 42471
- InChIKey
- GVONFQICPIJSDU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1oc2nc3CC(C)(C)OCc3(cc2(c1(N)))
- Standard InChI
- InChI=1S/C15H18N2O4/c1-4-19-14(18)12-11(16)9-5-8-7-20-15(2,3)6-10(8)17-13(9)21-12/h5H,4,6-7,16H2,1-3H3
- Stored Murcko scaffold
- n1c2occc2cc3c1CCOC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.37
- 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 · 865053