Molecule card · MolClass #47294
7970900
7970900: 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
- 7970900Mitochondrial Fusion · compound_name
- MolClass ID
- 47294
- InChIKey
- GLPKFEYTIRMYNO-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C(=O)NCCn3ccc2ccccc23
- Standard InChI
- InChI=1S/C18H18N2O2/c1-22-16-7-4-6-15(13-16)18(21)19-10-12-20-11-9-14-5-2-3-8-17(14)20/h2-9,11,13H,10,12H2,1H3,(H,19,21)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCCn2ccc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.611
- 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 · 7970900