Molecule card · MolClass #15273
1984384
1984384: 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
- MolClass ID
- 15273
- InChIKey
- LZZKCNFBQSXFCS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2nc(c1ccccc1)sn2)c3ccc4ncsc4(c3)
- Standard InChI
- InChI=1S/C16H10N4OS2/c21-14(11-6-7-12-13(8-11)22-9-17-12)18-16-19-15(23-20-16)10-4-2-1-3-5-10/h1-9H,(H,18,20,21)
- Stored Murcko scaffold
- n1sc(nc1N[CH]c2ccc3ncsc3c2)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.084
- 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 · 1984384