Molecule card · MolClass #14758
1910240
1910240: 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
- 14758
- InChIKey
- ZRNZOQMYBJDLIZ-ARJAWSKDSA-N
- Canonical SMILES
- FC(F)=C(F)CCSc2nc3nccc(C=Cc1cccs1)n3(n2)
- Standard InChI
- InChI=1S/C15H11F3N4S2/c16-12(13(17)18)6-9-24-15-20-14-19-7-5-10(22(14)21-15)3-4-11-2-1-8-23-11/h1-5,7-8H,6,9H2/b4-3-
- Stored Murcko scaffold
- n1cnn2c1nccc2C=Cc3sccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.037
- 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 · 1910240