Molecule card · MolClass #49473
24799120
24799120: 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
- 24799120Mitochondrial Fusion · compound_name
- MolClass ID
- 49473
- InChIKey
- DAZYIJQTGFOXHB-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CNCc2cn(nc2c3ccc(C)o3)c4cccc(F)c4
- Standard InChI
- InChI=1S/C23H22FN3O2/c1-16-6-11-22(29-16)23-18(14-25-13-17-7-9-21(28-2)10-8-17)15-27(26-23)20-5-3-4-19(24)12-20/h3-12,15,25H,13-14H2,1-2H3
- Stored Murcko scaffold
- n1c(-c2occc2)c(cn1-c3ccccc3)CNCc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.21
- 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 · 24799120