Molecule card · MolClass #38204
24819832
24819832: 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
- 24819832Mitochondrial Fusion · compound_name
- MolClass ID
- 38204
- InChIKey
- DLIGYUBKNWFIFC-UBKPWBPPSA-N
- Canonical SMILES
- CC2(C)(OC(=O)C(C=NC(=O)c1c(F)cccc1(F))=C(O)O2)
- Standard InChI
- InChI=1S/C14H11F2NO5/c1-14(2)21-12(19)7(13(20)22-14)6-17-11(18)10-8(15)4-3-5-9(10)16/h3-6,19H,1-2H3/b17-6+
- Stored Murcko scaffold
- N(=CC=1[CH]OCOC1)[CH]c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.375
- 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 · 24819832