Molecule card · MolClass #23623
ZINC21293519
ZINC21293519: 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
- Imported compound names
- ZINC21293519Metabolite Likeness · compound_name
- MolClass ID
- 23623
- InChIKey
- RZIDCGPUYLAUJC-PFWVIDTOSA-N
- Canonical SMILES
- C1=NN=CC2=CCOC2(=NN1)
- Standard InChI
- InChI=1S/C6H6N4O/c1-2-11-6-5(1)3-7-8-4-9-10-6/h1,3-4H,2H2,(H,8,9)/b7-3-,10-6+
- Stored Murcko scaffold
- N=1N=CC2=CCOC2=NNC1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 150.138 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.742
- 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.
Metabolite Likeness
Dataset #15 · ZINC21293519