Molecule card · MolClass #51418
14743714
14743714: 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
- 14743714Mitochondrial Fusion · compound_name
- MolClass ID
- 51418
- InChIKey
- NGXMOYFGFNYMJV-UHFFFAOYSA-N
- Canonical SMILES
- CC4(C)(C1CCC4(C)(c3c1c(nn3(c2ccc(F)cc2))C(=O)O))
- Standard InChI
- InChI=1S/C18H19FN2O2/c1-17(2)12-8-9-18(17,3)15-13(12)14(16(22)23)20-21(15)11-6-4-10(19)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,22,23)
- Stored Murcko scaffold
- n1cc2c(n1-c3ccccc3)C4CCC2C4
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.
- 3715324#30075
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.854
- 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 · 14743714