Molecule card · MolClass #50594
17508011
17508011: 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
- 17508011Mitochondrial Fusion · compound_name
- MolClass ID
- 50594
- InChIKey
- LUVINOPLWTUFRM-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c1CCCc1sc2(NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)
- Standard InChI
- InChI=1S/C16H21Cl3N2O3S/c1-4-24-14(23)11-9-6-5-7-10(9)25-13(11)21-15(16(17,18)19)20-12(22)8(2)3/h8,15,21H,4-7H2,1-3H3,(H,20,22)
- Stored Murcko scaffold
- s1ccc2c1CCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.128
- 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 · 17508011