Molecule card · MolClass #44584
4260858
4260858: 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
- 4260858Mitochondrial Fusion · compound_name
- MolClass ID
- 44584
- InChIKey
- VLBORRTZVDUMDK-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(ccc2(OCC(=O)Nn1c(C)ccc1(C)))Cl
- Standard InChI
- InChI=1S/C15H17ClN2O2/c1-10-8-13(16)6-7-14(10)20-9-15(19)17-18-11(2)4-5-12(18)3/h4-8H,9H2,1-3H3,(H,17,19)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]Nn2cccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.761 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.777
- 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 · 4260858