Molecule card · MolClass #50202
22402216
22402216: 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
- 22402216Mitochondrial Fusion · compound_name
- MolClass ID
- 50202
- InChIKey
- MJAXUBRFSKOVQE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(Nc1ccccc1)nc3cc(O)ccc23
- Standard InChI
- InChI=1S/C16H14N2O/c1-11-9-16(17-12-5-3-2-4-6-12)18-15-10-13(19)7-8-14(11)15/h2-10,19H,1H3,(H,17,18)
- Stored Murcko scaffold
- n1c(ccc2ccccc12)Nc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.096
- 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 · 22402216