Molecule card · MolClass #50143
22405878
22405878: 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
- 22405878Mitochondrial Fusion · compound_name
- MolClass ID
- 50143
- InChIKey
- FZBNRFHFAZCQNK-UHFFFAOYSA-N
- Canonical SMILES
- CC3=[N+](C)c2ccc1ccccc1c2C3(C)(C)
- Standard InChI
- InChI=1S/C16H18N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1-4H3/q+1
- Stored Murcko scaffold
- c1ccc2c(c1)ccc3[NH+]=CCc32
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 3.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 224.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.664
- 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 · 22405878