Molecule card · MolClass #48449
24821747
24821747: 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
- 24821747Mitochondrial Fusion · compound_name
- MolClass ID
- 48449
- InChIKey
- CYEJCMAAAMMALG-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2=C(C)NC(=O)CC2(c1ccccc1Cl)
- Standard InChI
- InChI=1S/C14H14ClNO2/c1-8-14(9(2)17)11(7-13(18)16-8)10-5-3-4-6-12(10)15/h3-6,11H,7H2,1-2H3,(H,16,18)
- Stored Murcko scaffold
- c1ccc(cc1)C2C=CN[CH]C2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.72 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.205
- 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 · 24821747