Molecule card · MolClass #43047
24831971
24831971: 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
- 24831971Mitochondrial Fusion · compound_name
- MolClass ID
- 43047
- InChIKey
- CPWZXIQCLLQIMI-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CCCN1CC(=O)C(=C1(N))c2nc(cs2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H20ClN3O3S/c1-2-26-16(25)4-3-9-23-10-15(24)17(18(23)21)19-22-14(11-27-19)12-5-7-13(20)8-6-12/h5-8,11H,2-4,9-10,21H2,1H3
- Stored Murcko scaffold
- n1c(scc1-c2ccccc2)C3=CNC[CH]3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.9 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.6
- 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 · 24831971