Molecule card · MolClass #46305
4261772
4261772: 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
- 4261772Mitochondrial Fusion · compound_name
- MolClass ID
- 46305
- InChIKey
- ZFGLUIRRXJEQSV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccccc1c3C(=O)N(C)C(=O)c23
- Standard InChI
- InChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3
- Stored Murcko scaffold
- [N]1[CH]c2cnc3ccccc3c2[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.552
- 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 · 4261772