Molecule card · MolClass #42239
842258
842258: 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
- 842258Mitochondrial Fusion · compound_name
- MolClass ID
- 42239
- InChIKey
- OJCMQTNDWCGLGQ-UHFFFAOYSA-N
- Canonical SMILES
- COCc1cc(O)n2c3ccccc3(nc2(c1(C#N)))
- Standard InChI
- InChI=1S/C14H11N3O2/c1-19-8-9-6-13(18)17-12-5-3-2-4-11(12)16-14(17)10(9)7-15/h2-6,18H,8H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2n3ccccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.041
- 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 · 842258