Molecule card · MolClass #17943
1723873
1723873: 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
- 17943
- InChIKey
- UVZIFZHJNDCHOD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)NC(N)=C2C(=O)CC(C)(C)CC2(=O)
- Standard InChI
- InChI=1S/C15H20N4O2/c1-8-5-9(2)18-14(17-8)19-13(16)12-10(20)6-15(3,4)7-11(12)21/h5H,6-7,16H2,1-4H3,(H,17,18,19)
- Stored Murcko scaffold
- n1cccnc1NC=C2[CH]CCC[CH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.536
- 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 · 1723873