Molecule card · MolClass #51263
17387062
17387062: 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
- 17387062Mitochondrial Fusion · compound_name
- MolClass ID
- 51263
- InChIKey
- PKSNUQRKJIEUSQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C=C(Oc2c3(ccc1ccccc12))C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C14H7Cl3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H
- Stored Murcko scaffold
- O1C=C[CH]c2ccc3ccccc3c12
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.
- 49666503#34390
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
- 26.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.564 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.291
- 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 · 17387062