Molecule card · MolClass #47440
24813066
24813066: 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
- 24813066Mitochondrial Fusion · compound_name
- MolClass ID
- 47440
- InChIKey
- MXFIKEXXELNCBD-ACCUITESSA-N
- Canonical SMILES
- CCc1ccc(cc1)C=C(C)C(=O)c2c(C)cc(C)nc2(O)
- Standard InChI
- InChI=1S/C19H21NO2/c1-5-15-6-8-16(9-7-15)11-13(3)18(21)17-12(2)10-14(4)20-19(17)22/h6-11H,5H2,1-4H3,(H,20,22)/b13-11+
- Stored Murcko scaffold
- n1cccc(c1)[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.
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
- 50.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.181
- 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 · 24813066