Molecule card · MolClass #41982
4241238
4241238: 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
- 4241238Mitochondrial Fusion · compound_name
- MolClass ID
- 41982
- InChIKey
- MKMUSRBILMAWNJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1c2noc(N)c2(C#N)
- Standard InChI
- InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3
- Stored Murcko scaffold
- n1occc1-c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 199.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.355
- 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 · 4241238