Molecule card · MolClass #5306
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
- 5306
- InChIKey
- DSQLPWRJEUQAFM-UHFFFAOYSA-N
- Canonical SMILES
- CNP1(NC)(NP(NC)(NC)NP(NC)(NC)N1)
- Standard InChI
- InChI=1S/C6H30N9P3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-18H,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.
- 6607-30-3#2564
- 131841-09-3#3238
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 9
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.2
- 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.
Toxicity Benchmark
Dataset #5 · 1635-63-8