Molecule card · MolClass #39886
24818613
24818613: 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
- 24818613Mitochondrial Fusion · compound_name
- MolClass ID
- 39886
- InChIKey
- YUVWQGAGIKXRRG-UHFFFAOYSA-N
- Canonical SMILES
- NC=1C=CN(C(=O)N=1)c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C10H6ClF3N4O/c11-6-3-5(10(12,13)14)4-16-8(6)18-2-1-7(15)17-9(18)19/h1-4H,(H2,15,17,19)
- Stored Murcko scaffold
- N1=CC=CN([CH]1)c2ncccc2
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
- 5
- 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
- 71.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.629 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.78
- 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 · 24818613