Molecule card · MolClass #40894
14739494
14739494: 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
- 14739494Mitochondrial Fusion · compound_name
- MolClass ID
- 40894
- InChIKey
- XHRPFARAFYNEMH-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)n2c1ccccc1c(NC(=O)CCl)c2Cl
- Standard InChI
- InChI=1S/C12H10Cl2N2O2/c1-7(17)16-9-5-3-2-4-8(9)11(12(16)14)15-10(18)6-13/h2-5H,6H2,1H3,(H,15,18)
- Stored Murcko scaffold
- [N]1C=Cc2ccccc12
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
- 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
- 51.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.126 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.994
- 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 · 14739494