Molecule card · MolClass #48049
24804999
24804999: 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
- 24804999Mitochondrial Fusion · compound_name
- MolClass ID
- 48049
- InChIKey
- AKUYENPHONJFMA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1c(F)cccc1(F))N2CCC(CC2)n4nnc3cc(ccc34)C(F)(F)F
- Standard InChI
- InChI=1S/C19H15F5N4O/c20-13-2-1-3-14(21)17(13)18(29)27-8-6-12(7-9-27)28-16-5-4-11(19(22,23)24)10-15(16)25-26-28/h1-5,10,12H,6-9H2
- Stored Murcko scaffold
- n1nn(c2ccccc12)C3CCN([CH]c4ccccc4)CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.153
- 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 · 24804999