Molecule card · MolClass #48197
856079
856079: 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
- 856079Mitochondrial Fusion · compound_name
- MolClass ID
- 48197
- InChIKey
- SAMWDKASOXQZPU-QPJJXVBHSA-N
- Canonical SMILES
- O=C2NC(=O)C(CC=Cc1ccccc1)C(=O)N2
- Standard InChI
- InChI=1S/C13H12N2O3/c16-11-10(12(17)15-13(18)14-11)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2,(H2,14,15,16,17,18)/b7-4+
- Stored Murcko scaffold
- c1ccc(cc1)C=CCC2[CH]N[CH]N[CH]2
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.
- 14738918#48509
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 75.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.054
- 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 · 856079