Molecule card · MolClass #48806
24830760
24830760: 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
- 24830760Mitochondrial Fusion · compound_name
- MolClass ID
- 48806
- InChIKey
- IGCKVJNAOUOJSU-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)NC(=O)COC(=O)CCC2=NC(=O)c1ccccc1N2(C)
- Standard InChI
- InChI=1S/C16H18N4O5/c1-17-16(24)19-13(21)9-25-14(22)8-7-12-18-15(23)10-5-3-4-6-11(10)20(12)2/h3-6H,7-9H2,1-2H3,(H2,17,19,21,24)
- Stored Murcko scaffold
- N1=CNc2ccccc2[CH]1
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.184
- 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 · 24830760