Molecule card · MolClass #47205
14737255
14737255: 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
- 14737255Mitochondrial Fusion · compound_name
- MolClass ID
- 47205
- InChIKey
- GUAQAAUEJQSNKZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)N3C2C=CC(C2)C3(C(F)(F)F)C(F)(F)F
- Standard InChI
- InChI=1S/C16H13F6NO/c1-9-2-4-10(5-3-9)13(24)23-12-7-6-11(8-12)14(23,15(17,18)19)16(20,21)22/h2-7,11-12H,8H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2CC3C=CC2C3
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.
- 14729711#35323
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.556
- 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 · 14737255