Molecule card · MolClass #45939
4262334
4262334: 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
- 4262334Mitochondrial Fusion · compound_name
- MolClass ID
- 45939
- InChIKey
- VPGMRSJOXHUOLH-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nc1c(cccc1Cl)c(O)c3(CN2CCCC2)
- Standard InChI
- InChI=1S/C15H17ClN2O/c1-10-12(9-18-7-2-3-8-18)15(19)11-5-4-6-13(16)14(11)17-10/h4-6H,2-3,7-9H2,1H3,(H,17,19)
- Stored Murcko scaffold
- n1cc(cc2ccccc12)CN3CCCC3
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
- 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
- 36.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.762 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.913
- 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 · 4262334