Molecule card · MolClass #49280
24813045
24813045: 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
- 24813045Mitochondrial Fusion · compound_name
- MolClass ID
- 49280
- InChIKey
- MCMJWPRRWCYHCZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)NC(=O)c3cc4c(C)nc2ccccc2c4(o3)
- Standard InChI
- InChI=1S/C22H20N2O2/c1-13(2)15-8-10-16(11-9-15)24-22(25)20-12-18-14(3)23-19-7-5-4-6-17(19)21(18)26-20/h4-13H,1-3H3,(H,24,25)
- Stored Murcko scaffold
- n1cc2cc(oc2c3ccccc13)[CH]Nc4ccccc4
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.
- 24823263#49120
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
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.872
- 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 · 24813045