Molecule card · MolClass #46391
24817211
24817211: 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
- 24817211Mitochondrial Fusion · compound_name
- MolClass ID
- 46391
- InChIKey
- YROGYKLLIVQYOT-PLNGDYQASA-N
- Canonical SMILES
- CN(C)C=C1C(=O)N(C)N=C1C(F)(F)F
- Standard InChI
- InChI=1S/C8H10F3N3O/c1-13(2)4-5-6(8(9,10)11)12-14(3)7(5)15/h4H,1-3H3/b5-4-
- Stored Murcko scaffold
- [N]1N=C[CH][CH]1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.18 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.517
- 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 · 24817211