Molecule card · MolClass #1886
Guanadrel sulfate
Guanadrel sulfate: 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
- Guanadrel sulfateFlucanozole Synergizer · compound_name
- MolClass ID
- 1886
- InChIKey
- HPBNRIOWIXYZFK-UHFFFAOYSA-N
- Canonical SMILES
- NC(=N)NCC2COC1(CCCCC1)O2
- Standard InChI
- InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)
- Stored Murcko scaffold
- O1CCOC12CCCCC2
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.
- Guanadrel#9247
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 213.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.223
- 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.
Flucanozole Synergizer
Dataset #3 · Guanadrel sulfate