Molecule card · MolClass #37299
24780594
24780594: 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
- 24780594Mitochondrial Fusion · compound_name
- MolClass ID
- 37299
- InChIKey
- IQHIYAXDFZCZGG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cnc3nc1ccccc1n3(c2(O))
- Standard InChI
- InChI=1S/C13H11N3O3/c1-2-19-12(18)8-7-14-13-15-9-5-3-4-6-10(9)16(13)11(8)17/h3-7,17H,2H2,1H3
- Stored Murcko scaffold
- n1cccn2c1nc3ccccc32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.357
- 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 · 24780594