Molecule card · MolClass #49774
24783005
24783005: 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
- 24783005Mitochondrial Fusion · compound_name
- MolClass ID
- 49774
- InChIKey
- WYCGNFFSEMIRHC-UHFFFAOYSA-N
- Canonical SMILES
- CN4C=CC(=Cc2ccc1ccccc1[n+]2(C))c3ccccc34
- Standard InChI
- InChI=1S/C21H19N2/c1-22-14-13-17(19-8-4-6-10-21(19)22)15-18-12-11-16-7-3-5-9-20(16)23(18)2/h3-15H,1-2H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c(ccc2c1)C=C3C=CNc4ccccc34
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.442
- 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 · 24783005