Molecule card · MolClass #51927
14718834
14718834: 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
- 14718834Mitochondrial Fusion · compound_name
- MolClass ID
- 51927
- InChIKey
- PMHOLNWLLZXPAH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(c(c1)C2c3cc(ccc3(CCN=C2S))Cl)Cl
- Standard InChI
- InChI=1S/C16H13Cl2NS/c17-11-6-5-10-7-8-19-16(20)15(13(10)9-11)12-3-1-2-4-14(12)18/h1-6,9,15H,7-8H2,(H,19,20)
- Stored Murcko scaffold
- N1=CC(c2ccccc2)c3ccccc3CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.254 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.831
- 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 · 14718834