Molecule card · MolClass #48285
24791674
24791674: 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
- 24791674Mitochondrial Fusion · compound_name
- MolClass ID
- 48285
- InChIKey
- CUCRDDJLTHVVNV-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCN1C(=O)c2ccc(cc2(C1(=O)))C(=O)Nc3cnc(O)nc3(O)
- Standard InChI
- InChI=1S/C18H18N4O5/c1-9(2)5-6-22-16(25)11-4-3-10(7-12(11)17(22)26)14(23)20-13-8-19-18(27)21-15(13)24/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)(H2,19,21,24,27)
- Stored Murcko scaffold
- n1cncc(c1)N[CH]c2ccc3[CH][N][CH]c3c2
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.743
- 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 · 24791674