Molecule card · MolClass #51149
17406596
17406596: 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
- 17406596Mitochondrial Fusion · compound_name
- MolClass ID
- 51149
- InChIKey
- WPOSWNNUUORXGD-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c3nc(ncc3(c2nnnn2(c1ccccc1)))N4CCCC4
- Standard InChI
- InChI=1S/C16H14F3N7/c17-16(18,19)13-12(10-20-15(21-13)25-8-4-5-9-25)14-22-23-24-26(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
- Stored Murcko scaffold
- n1nc(-c2cnc(nc2)N3CCCC3)n(n1)-c4ccccc4
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.
- 17386664#51233
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 72.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.013
- 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 · 17406596