Molecule card · MolClass #49318
24812325
24812325: 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
- 24812325Mitochondrial Fusion · compound_name
- MolClass ID
- 49318
- InChIKey
- DNJTUHNORWLHBQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)NC(=O)c2c(ccs2)n3cccc3
- Standard InChI
- InChI=1S/C18H18N2OS/c1-13(2)14-5-7-15(8-6-14)19-18(21)17-16(9-12-22-17)20-10-3-4-11-20/h3-13H,1-2H3,(H,19,21)
- Stored Murcko scaffold
- s1ccc(c1[CH]Nc2ccccc2)-n3cccc3
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
- 2
- 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
- 62.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.452
- 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 · 24812325