Molecule card · MolClass #7574
1635-63-8
1635-63-8: 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
- 7574
- InChIKey
- KHYJNWIXWNFTRT-UHFFFAOYSA-N
- Canonical SMILES
- CNP1(NC)(=NP(NC)(NC)=NP(NC)(NC)=N1)
- Standard InChI
- InChI=1S/C6H24N9P3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-12H,1-6H3
- Stored Murcko scaffold
- n1pnpnp1
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 6
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.343
- 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.
Ames Categorization
Dataset #6 · 1635-63-8