Molecule card · MolClass #38195
14732218
14732218: 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
- 14732218Mitochondrial Fusion · compound_name
- MolClass ID
- 38195
- InChIKey
- PSEOZXIJUNTMJP-UHFFFAOYSA-N
- Canonical SMILES
- C=C(C)C(=O)OC1(Oc2cc(C)ccc2(NC1(=O)))C(F)(F)F
- Standard InChI
- InChI=1S/C14H12F3NO4/c1-7(2)11(19)22-13(14(15,16)17)12(20)18-9-5-4-8(3)6-10(9)21-13/h4-6H,1H2,2-3H3,(H,18,20)
- Stored Murcko scaffold
- O1c2ccccc2N[CH]C1
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.946
- 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 · 14732218