Molecule card · MolClass #42919
24781487
24781487: 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
- 24781487Mitochondrial Fusion · compound_name
- MolClass ID
- 42919
- InChIKey
- MJZDXAJAVQULRH-UHFFFAOYSA-N
- Canonical SMILES
- COC(CNC(=O)c1ccc3c(c1)ncn3(c2cccc(F)c2))OC
- Standard InChI
- InChI=1S/C18H18FN3O3/c1-24-17(25-2)10-20-18(23)12-6-7-16-15(8-12)21-11-22(16)14-5-3-4-13(19)9-14/h3-9,11,17H,10H2,1-2H3,(H,20,23)
- Stored Murcko scaffold
- n1cn(-c2ccccc2)c3ccccc13
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
- 5
- 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
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.547
- 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 · 24781487