Molecule card · MolClass #50554
17508979
17508979: 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
- 17508979Mitochondrial Fusion · compound_name
- MolClass ID
- 50554
- InChIKey
- GKZCFPFWFSFOAM-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CSC(c1ccc(F)cc1)N2c4nc3ccccc3s4
- Standard InChI
- InChI=1S/C16H11FN2OS2/c17-11-7-5-10(6-8-11)15-19(14(20)9-21-15)16-18-12-3-1-2-4-13(12)22-16/h1-8,15H,9H2
- Stored Murcko scaffold
- n1c(sc2ccccc12)N3[CH]CSC3c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.176
- 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 · 17508979