Molecule card · MolClass #46499
852900
852900: 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
- 852900Mitochondrial Fusion · compound_name
- MolClass ID
- 46499
- InChIKey
- UJHGVKSRLMQLBM-SEYXRHQNSA-N
- Canonical SMILES
- CN1c3cccc2cccc(C1(=NO))c23
- Standard InChI
- InChI=1S/C12H10N2O/c1-14-10-7-3-5-8-4-2-6-9(11(8)10)12(14)13-15/h2-7,15H,1H3/b13-12-
- Stored Murcko scaffold
- c1cc2cccc3[nH]cc(c1)c23
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
- 1
- 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
- 35.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.425
- 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 · 852900