Molecule card · MolClass #36065
3711721
3711721: 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
- 3711721Mitochondrial Fusion · compound_name
- MolClass ID
- 36065
- InChIKey
- IWJPJJGWCQBIIU-UHFFFAOYSA-N
- Canonical SMILES
- O=C2NC(c1ccccc1)(C(F)(F)F)SC3=CCCCCN23
- Standard InChI
- InChI=1S/C15H15F3N2OS/c16-15(17,18)14(11-7-3-1-4-8-11)19-13(21)20-10-6-2-5-9-12(20)22-14/h1,3-4,7-9H,2,5-6,10H2,(H,19,21)
- Stored Murcko scaffold
- S1C2=CCCCCN2[CH]NC1c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.638
- 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 · 3711721