Molecule card · MolClass #42942
862303
862303: 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
- 862303Mitochondrial Fusion · compound_name
- MolClass ID
- 42942
- InChIKey
- FDUVXRJKCCWTCT-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(=O)NC2(C(=O)NC1=C2(C(=O)N(C)C(=O)N1(C)))C(F)(F)F
- Standard InChI
- InChI=1S/C14H17F3N4O4/c1-4-5-6-7(22)19-13(14(15,16)17)8-9(18-11(13)24)20(2)12(25)21(3)10(8)23/h4-6H2,1-3H3,(H,18,24)(H,19,22)
- Stored Murcko scaffold
- n1cnc2N[CH]Cc2c1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.171
- 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 · 862303