Molecule card · MolClass #39354
24825746
24825746: 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
- 24825746Mitochondrial Fusion · compound_name
- MolClass ID
- 39354
- InChIKey
- RGFJSXIAXGZDOX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)=NNC(=O)Cn2ccc(n2)C(F)(F)F
- Standard InChI
- InChI=1S/C14H18F3N5O3/c1-2-25-13(24)21-6-3-10(4-7-21)18-19-12(23)9-22-8-5-11(20-22)14(15,16)17/h5,8H,2-4,6-7,9H2,1H3,(H,19,23)
- Stored Murcko scaffold
- n1cccn1C[CH]NN=C2CC[N]CC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.369
- 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 · 24825746