Molecule card · MolClass #14884
2062818
2062818: 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
- 14884
- InChIKey
- PFDPVCWJLVBNGD-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1c(O)nn2c(C)cc(C)nc12
- Standard InChI
- InChI=1S/C10H12N4O2/c1-5-4-6(2)14-9(11-5)8(10(16)13-14)12-7(3)15/h4H,1-3H3,(H,12,15)(H,13,16)
- Stored Murcko scaffold
- n1cccn2nccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.244
- 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 · 2062818