Molecule card · MolClass #51787
14728158
14728158: 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
- 14728158Mitochondrial Fusion · compound_name
- MolClass ID
- 51787
- InChIKey
- HQMNIMAIGXCQPI-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C(NNc1ccc(cc1)Cl)=Nc2ccccc2Cl
- Standard InChI
- InChI=1S/C15H13Cl2N3O/c1-10(21)15(18-14-5-3-2-4-13(14)17)20-19-12-8-6-11(16)7-9-12/h2-9,19H,1H3,(H,18,20)
- Stored Murcko scaffold
- N(=CNNc1ccccc1)c2ccccc2
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.
- 47195324#33172
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.19 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.005
- 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 · 14728158