Molecule card · MolClass #47470
24817865
24817865: 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
- 24817865Mitochondrial Fusion · compound_name
- MolClass ID
- 47470
- InChIKey
- NPDSZJJDZIFUOO-UHFFFAOYSA-N
- Canonical SMILES
- Cn2nc(cc2(OCC(=O)N(C)c1ccccc1))C(F)(F)F
- Standard InChI
- InChI=1S/C14H14F3N3O2/c1-19(10-6-4-3-5-7-10)12(21)9-22-13-8-11(14(15,16)17)18-20(13)2/h3-8H,9H2,1-2H3
- Stored Murcko scaffold
- n1ccc(OC[CH][N]c2ccccc2)[nH]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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.764
- 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 · 24817865