Molecule card · MolClass #48513
17512346
17512346: 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
- 17512346Mitochondrial Fusion · compound_name
- MolClass ID
- 48513
- InChIKey
- SJABEXFYQCLCEF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C(NC(=O)c1ccccc1)(OCc2ccccc2)C(F)(F)F
- Standard InChI
- InChI=1S/C19H18F3NO4/c1-2-26-17(25)18(19(20,21)22,27-13-14-9-5-3-6-10-14)23-16(24)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,23,24)
- Stored Murcko scaffold
- O(CN[CH]c1ccccc1)Cc2ccccc2
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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.425
- 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 · 17512346