Molecule card · MolClass #45556
17410238
17410238: 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
- 17410238Mitochondrial Fusion · compound_name
- MolClass ID
- 45556
- InChIKey
- FFENGIRYCKWMGB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCSC2=NC(=CC(=O)N2(c1ccccc1))C(F)(F)F
- Standard InChI
- InChI=1S/C14H11F3N2O3S/c15-14(16,17)10-8-11(20)19(9-4-2-1-3-5-9)13(18-10)23-7-6-12(21)22/h1-5,8H,6-7H2,(H,21,22)
- Stored Murcko scaffold
- N=1C=C[CH]N(C1)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.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.214
- 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 · 17410238