Molecule card · MolClass #50642
17507109
17507109: 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
- 17507109Mitochondrial Fusion · compound_name
- MolClass ID
- 50642
- InChIKey
- BHCZANKDQKMIBU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)nc1ccc(cc1c3(c2ccccc2))Cl
- Standard InChI
- InChI=1S/C19H16ClNO2/c1-3-23-19(22)17-12(2)21-16-10-9-14(20)11-15(16)18(17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)c3ccccc13
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.
- 1916669#12901
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.789 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.361
- 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 · 17507109