Molecule card · MolClass #2056
Pyrvinium pamoate
Pyrvinium pamoate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Pyrvinium pamoateFlucanozole Synergizer · compound_name
- MolClass ID
- 2056
- InChIKey
- QMHSXPLYMTVAMK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C=Cc2ccc1cc(ccc1[n+]2(C))N(C)C)c(C)n3c4ccccc4
- Standard InChI
- InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)-n2ccc(C=Cc3ccc4ccccc4[nH+]3)c2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.333
- 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 · Pyrvinium pamoate
BetaCell Transdifferentiation
Dataset #11 · 3188156