Molecule card · MolClass #50839
17432151
17432151: 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
- 17432151Mitochondrial Fusion · compound_name
- MolClass ID
- 50839
- InChIKey
- IJHNNYZJAPTFPJ-SDXDJHTJSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)ON=C3C(=O)N(C)c2ccccc23
- Standard InChI
- InChI=1S/C17H14N2O3/c1-11-6-5-7-12(10-11)17(21)22-18-15-13-8-3-4-9-14(13)19(2)16(15)20/h3-10H,1-2H3/b18-15-
- Stored Murcko scaffold
- N(O[CH]c1ccccc1)=C2[CH][N]c3ccccc23
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.589
- 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 · 17432151