Molecule card · MolClass #42197
24822349
24822349: 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
- 24822349Mitochondrial Fusion · compound_name
- MolClass ID
- 42197
- InChIKey
- XLPJUAWUNSADIM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C)c(Oc1cccc(c1)Cl)c2(C#N)
- Standard InChI
- InChI=1S/C12H10ClN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-4-9(13)6-10/h3-6H,1-2H3
- Stored Murcko scaffold
- n1ccc(Oc2ccccc2)[nH]1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.681 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.014
- 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 · 24822349