Molecule card · MolClass #35716
7977715
7977715: 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
- 7977715Mitochondrial Fusion · compound_name
- MolClass ID
- 35716
- InChIKey
- IGOXBTYEPVQGKZ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C[N+]([O-])=C(c1ccccc1)C2(C)(C)
- Standard InChI
- InChI=1S/C12H16N2O/c1-12(2)11(14(15)9-13(12)3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=[NH+]CNC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.427
- 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 · 7977715