Molecule card · MolClass #15551
1984372
1984372: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24784279Mitochondrial Fusion · compound_name
- MolClass ID
- 15551
- InChIKey
- FQYRZHWDMVRYHF-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)N3c2ncnc(c2SC3=S)Cl
- Standard InChI
- InChI=1S/C11H6ClN3S2/c12-9-8-10(14-6-13-9)15(11(16)17-8)7-4-2-1-3-5-7/h1-6H
- Stored Murcko scaffold
- n1cnc2c(S[CH]N2c3ccccc3)c1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.771 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.134
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1984372
Mitochondrial Fusion
Dataset #19 · 24784279