Molecule card · MolClass #16556
1914970
1914970: 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
- 16556
- InChIKey
- SCPFRQBUVWIDOS-UHFFFAOYSA-N
- Canonical SMILES
- NC(=N)Nc1nc(O)c2ccccc2(n1)
- Standard InChI
- InChI=1S/C9H9N5O/c10-8(11)14-9-12-6-4-2-1-3-5(6)7(15)13-9/h1-4H,(H5,10,11,12,13,14,15)
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.201 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.413
- 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 · 1914970