Molecule card · MolClass #16460
1908577
1908577: 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
- 24817912Mitochondrial Fusion · compound_name
- MolClass ID
- 16460
- InChIKey
- UJJSZCSLQQMCEA-UHFFFAOYSA-N
- Canonical SMILES
- Cn1c(nnc1S)c2c(ccs2)OCc3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C14H11Cl2N3OS2/c1-19-13(17-18-14(19)21)12-11(4-5-22-12)20-7-8-2-3-9(15)6-10(8)16/h2-6H,7H2,1H3,(H,18,21)
- Stored Murcko scaffold
- n1nc([nH]c1)-c2sccc2OCc3ccccc3
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
- 0
- 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
- 106.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.86
- 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 · 1908577
Mitochondrial Fusion
Dataset #19 · 24817912