Molecule card · MolClass #50765
17433968
17433968: 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
- 17433968Mitochondrial Fusion · compound_name
- MolClass ID
- 50765
- InChIKey
- HBQXDZACPLJTAN-BQYQJAHWSA-N
- Canonical SMILES
- Cc1cc(C)nc(c1)NC(=O)C=Cc2ccccc2Cl
- Standard InChI
- InChI=1S/C16H15ClN2O/c1-11-9-12(2)18-15(10-11)19-16(20)8-7-13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+
- Stored Murcko scaffold
- n1ccccc1N[CH]C=Cc2ccccc2
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.
- 17411581#51054
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.757 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.115
- 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 · 17433968