Molecule card · MolClass #51783
14728658
14728658: 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
- 14728658Mitochondrial Fusion · compound_name
- MolClass ID
- 51783
- InChIKey
- RXKDAZIRHPJDFT-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC(=O)c2ccc(o2)c3ccccc3C(F)(F)F
- Standard InChI
- InChI=1S/C19H14F3NO3/c1-25-13-8-6-12(7-9-13)23-18(24)17-11-10-16(26-17)14-4-2-3-5-15(14)19(20,21)22/h2-11H,1H3,(H,23,24)
- Stored Murcko scaffold
- o1c(ccc1-c2ccccc2)[CH]Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.486
- 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 · 14728658