Molecule card · MolClass #48536
14729756
14729756: 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
- 14729756Mitochondrial Fusion · compound_name
- MolClass ID
- 48536
- InChIKey
- WMPDDSUWBPXWDD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccc(c1)Cl)OCc2cnc(Cl)s2
- Standard InChI
- InChI=1S/C11H8Cl2N2O2S/c12-7-2-1-3-8(4-7)15-11(16)17-6-9-5-14-10(13)18-9/h1-5H,6H2,(H,15,16)
- Stored Murcko scaffold
- n1csc(c1)CO[CH]Nc2ccccc2
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.
- 14732549#32356
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 79.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.166 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.231
- 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 · 14729756