Molecule card · MolClass #14856
1935958
1935958: 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
- 14856
- InChIKey
- FWFQQKUSGXVEDU-CAOOACKPSA-N
- Canonical SMILES
- O=C3c4c1CCCCc1sc4(NCN3(N=Cc2cccs2))
- Standard InChI
- InChI=1S/C15H13N3OS2/c19-15-13-11-5-1-2-6-12(11)21-14(13)16-9-18(15)17-8-10-4-3-7-20-10/h3-4,7-9H,1-2,5-6H2/b17-8+
- Stored Murcko scaffold
- N1=CN(N=Cc2sccc2)[CH]c3c1sc4c3CCCC4
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
- 4
- 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
- 85.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.264
- 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 · 1935958