Molecule card · MolClass #1438
Guanethidine sulfate
Guanethidine 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
- Guanethidine sulfateFlucanozole Synergizer · compound_name
- MolClass ID
- 1438
- InChIKey
- ACGDKVXYNVEAGU-UHFFFAOYSA-N
- Canonical SMILES
- NC(=N)NCCN1CCCCCCC1
- Standard InChI
- InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
- Stored Murcko scaffold
- N1CCCCCCC1
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.
- 20917-49-1#6429
- N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O#155776
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.461
- 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 · Guanethidine sulfate