Molecule card · MolClass #38162
17513458
17513458: 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
- 17513458Mitochondrial Fusion · compound_name
- MolClass ID
- 38162
- InChIKey
- OATADCACUCTNIL-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2C(c1ccc(F)cc1)C3C(C)=NN=C3(CC2(C)(O))
- Standard InChI
- InChI=1S/C17H19FN2O2/c1-9-14-13(20-19-9)8-17(3,22)16(10(2)21)15(14)11-4-6-12(18)7-5-11/h4-7,14-16,22H,8H2,1-3H3
- Stored Murcko scaffold
- N=1N=C2CCCC(c3ccccc3)C2C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.11
- 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 · 17513458