Molecule card · MolClass #15218
1912466
1912466: 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
- 15218
- InChIKey
- GIQOSNWBMQZEDH-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(NC1CCCCN1)n2cncn2
- Standard InChI
- InChI=1S/C11H15N5/c1-2-5-11(16-9-12-8-14-16)15-10-6-3-4-7-13-10/h3-4,6-9,11H,2,5H2,1H3,(H,13,15)
- Stored Murcko scaffold
- n1cnn(c1)CNc2ncccc2
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.
- 7977448#31701
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.912
- 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 · 1912466