Molecule card · MolClass #40590
7973734
7973734: 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
- 7973734Mitochondrial Fusion · compound_name
- MolClass ID
- 40590
- InChIKey
- SEFNREINSJIMPW-NTMALXAHSA-N
- Canonical SMILES
- O=C2CC(=CNCc1ccccc1)C(=O)N2
- Standard InChI
- InChI=1S/C12H12N2O2/c15-11-6-10(12(16)14-11)8-13-7-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,14,15,16)/b10-8-
- Stored Murcko scaffold
- c1ccc(cc1)CNC=C2[CH]N[CH]C2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 216.236 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.188
- 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 · 7973734