Molecule card · MolClass #51280
17386737
17386737: 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
- 17386737Mitochondrial Fusion · compound_name
- MolClass ID
- 51280
- InChIKey
- UDWVPCKQKOFUNR-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(cc1)n3c(C)ccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C19H17NO/c1-14-8-13-19(17-6-4-3-5-7-17)20(14)18-11-9-16(10-12-18)15(2)21/h3-13H,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cccn2-c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.755
- 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 · 17386737