Molecule card · MolClass #42319
24828707
24828707: 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
- 24828707Mitochondrial Fusion · compound_name
- MolClass ID
- 42319
- InChIKey
- BITUDWGONJCQTJ-SEYXRHQNSA-N
- Canonical SMILES
- CN3C=CC=CC3(=C1N=C(OC1(=O))c2ccccc2)
- Standard InChI
- InChI=1S/C15H12N2O2/c1-17-10-6-5-9-12(17)13-15(18)19-14(16-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12-
- Stored Murcko scaffold
- N1=C(O[CH]C1=C2C=CC=CN2)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.
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.892
- 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 · 24828707