Molecule card · MolClass #15225
1448740
1448740: 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
- 15225
- InChIKey
- FVGKPBJGZHUWKK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nccn1C2CC(=O)N(C2(=O))N(C)C
- Standard InChI
- InChI=1S/C10H14N4O2/c1-7-11-4-5-13(7)8-6-9(15)14(10(8)16)12(2)3/h4-5,8H,6H2,1-3H3
- Stored Murcko scaffold
- n1ccn(c1)C2[CH][N][CH]C2
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
- 58.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.43
- 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 · 1448740