Molecule card · MolClass #47477
24821876
24821876: 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
- 24821876Mitochondrial Fusion · compound_name
- MolClass ID
- 47477
- InChIKey
- LJSZSQVPHABSGJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C2CC=CCC2(C(=O)NNc1c(cc(cc1Cl)Cl)Cl)
- Standard InChI
- InChI=1S/C14H13Cl3N2O3/c15-7-5-10(16)12(11(17)6-7)18-19-13(20)8-3-1-2-4-9(8)14(21)22/h1-2,5-6,8-9,18H,3-4H2,(H,19,20)(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)NN[CH]C2CC=CCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.624 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.756
- 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 · 24821876