Molecule card · MolClass #41753
24807676
24807676: 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
- 24807676Mitochondrial Fusion · compound_name
- MolClass ID
- 41753
- InChIKey
- WJJHCBNAEQCNMM-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccccc1N4C(=O)C5C3CC(=O)C(c2ccccc23)C5(C4(=O))
- Standard InChI
- InChI=1S/C22H19NO3/c1-2-12-7-3-6-10-16(12)23-21(25)19-15-11-17(24)18(20(19)22(23)26)14-9-5-4-8-13(14)15/h3-10,15,18-20H,2,11H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3C4[CH]CC(c5ccccc54)C3[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.799
- 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 · 24807676