Molecule card · MolClass #52026
7965847
7965847: 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
- 7965847Mitochondrial Fusion · compound_name
- MolClass ID
- 52026
- InChIKey
- LTJNVJLQXUYKOS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)C(=O)N(Cc2nc(no2)c3ccc(cc3)Cl)C(C)C
- Standard InChI
- InChI=1S/C21H22ClN3O2/c1-13(2)25(21(26)18-11-14(3)5-6-15(18)4)12-19-23-20(24-27-19)16-7-9-17(22)10-8-16/h5-11,13H,12H2,1-4H3
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)C[N][CH]c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.872 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.797
- 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 · 7965847