Molecule card · MolClass #18224
1920084
1920084: 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
- 18224
- InChIKey
- HYMYHVWDCAAIKH-MFKUBSTISA-N
- Canonical SMILES
- Cc1ccc(cc1)N=Cc3cn(nc3(c2ccc(F)cc2))c4ccccc4
- Standard InChI
- InChI=1S/C23H18FN3/c1-17-7-13-21(14-8-17)25-15-19-16-27(22-5-3-2-4-6-22)26-23(19)18-9-11-20(24)12-10-18/h2-16H,1H3/b25-15+
- Stored Murcko scaffold
- N(=Cc1cn(nc1-c2ccccc2)-c3ccccc3)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 30.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.154
- 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 · 1920084