Molecule card · MolClass #50933
17414393
17414393: 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
- 17414393Mitochondrial Fusion · compound_name
- MolClass ID
- 50933
- InChIKey
- VGXQEISAEAIRBX-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(c(F)c1)N3N=C(CC3(c2ccco2))c4cccs4
- Standard InChI
- InChI=1S/C17H12F2N2OS/c18-11-5-6-14(12(19)9-11)21-15(16-3-1-7-22-16)10-13(20-21)17-4-2-8-23-17/h1-9,15H,10H2
- Stored Murcko scaffold
- N1=C(c2sccc2)CC(c3occc3)N1c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.67
- 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 · 17414393