Molecule card · MolClass #48068
17431740
17431740: 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
- 17431740Mitochondrial Fusion · compound_name
- MolClass ID
- 48068
- InChIKey
- YVVIJIRSJXEXBB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(N1CCCCCC1)C(Cl)(Cl)Cl)c2ccccc2Cl
- Standard InChI
- InChI=1S/C15H18Cl4N2O/c16-12-8-4-3-7-11(12)13(22)20-14(15(17,18)19)21-9-5-1-2-6-10-21/h3-4,7-8,14H,1-2,5-6,9-10H2,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCN2CCCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.129 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.134
- 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 · 17431740