Molecule card · MolClass #49108
24826691
24826691: 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
- 24826691Mitochondrial Fusion · compound_name
- MolClass ID
- 49108
- InChIKey
- LHUISMGFUZBUHO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)NC(=O)c3ccccc3(C(=O)c2ccccc2)
- Standard InChI
- InChI=1S/C22H19NO2/c1-15-12-13-16(2)20(14-15)23-22(25)19-11-7-6-10-18(19)21(24)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,23,25)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2ccccc2[CH]Nc3ccccc3
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.
No other molecules currently have this stored scaffold.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.21
- 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 · 24826691