Molecule card · MolClass #1531
Tremorine dihydrochloride
Tremorine dihydrochloride: 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
- Tremorine dihydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1531
- InChIKey
- JSUAJTLKVREZHV-UHFFFAOYSA-N
- Canonical SMILES
- C(#CCN1CCCC1)CN2CCCC2
- Standard InChI
- InChI=1S/C12H20N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-12H2
- Stored Murcko scaffold
- C(#CCN1CCCC1)CN2CCCC2
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.
- Cl.Cl.C1CCN(C1)CC#CCN1CCCC1#155274
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 6.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 192.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.256
- 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 · Tremorine dihydrochloride