Molecule card · MolClass #37136
24818199
24818199: 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
- 24818199Mitochondrial Fusion · compound_name
- MolClass ID
- 37136
- InChIKey
- JUAQNGLPECNZPS-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NNC(=O)c2ccccc2(O1)
- Standard InChI
- InChI=1S/C9H8N2O2/c1-6-10-11-9(12)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,11,12)
- Stored Murcko scaffold
- N1=COc2ccccc2[CH]N1
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.
- 24818680#30559
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 176.172 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.061
- 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 · 24818199