Molecule card · MolClass #47063
17388500
17388500: 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
- 17388500Mitochondrial Fusion · compound_name
- MolClass ID
- 47063
- InChIKey
- FPMHCNGWRUONCD-UHFFFAOYSA-N
- Canonical SMILES
- CSCCC2NC(=O)N(CC(=O)Nc1c(cc(cc1Cl)Cl)Cl)C2(=O)
- Standard InChI
- InChI=1S/C14H14Cl3N3O3S/c1-24-3-2-10-13(22)20(14(23)18-10)6-11(21)19-12-8(16)4-7(15)5-9(12)17/h4-5,10H,2-3,6H2,1H3,(H,18,23)(H,19,21)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CN2[CH]NC[CH]2
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.
- 3717015#52234
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.705 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.354
- 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 · 17388500