Molecule card · MolClass #17430
1710802
1710802: 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
- 14729511Mitochondrial Fusion · compound_name
- MolClass ID
- 17430
- InChIKey
- CZQNWEPGEWPUHA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)n1c2c(ccs2)C(=O)O
- Standard InChI
- InChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14)
- Stored Murcko scaffold
- s1cccc1-n2cccc2
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
- 2
- 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
- 70.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.86
- 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 · 1710802
Mitochondrial Fusion
Dataset #19 · 14729511