Molecule card · MolClass #49399
24807116
24807116: 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
- 24807116Mitochondrial Fusion · compound_name
- MolClass ID
- 49399
- InChIKey
- RSUZZOYXSVEOBJ-UHFFFAOYSA-N
- Canonical SMILES
- CCN3C(=O)C(C(=O)Nc1ncccc1(C))=C(O)c2ccccc23
- Standard InChI
- InChI=1S/C18H17N3O3/c1-3-21-13-9-5-4-8-12(13)15(22)14(18(21)24)17(23)20-16-11(2)7-6-10-19-16/h4-10,22H,3H2,1-2H3,(H,19,20,23)
- Stored Murcko scaffold
- n1ccccc1N[CH]c2cnc3ccccc3c2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.747
- 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 · 24807116