Molecule card · MolClass #1419

Pridinol methanesulfonate salt

Pridinol methanesulfonate salt: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: Pridinol methanesulfonate saltFlucanozole Synergizer · compound_name
MolClass ID: 1419
InChIKey: RQXCLMGKHJWMOA-UHFFFAOYSA-N
Canonical SMILES: OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3
Standard InChI: InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
Stored Murcko scaffold: c1ccc(cc1)C(c2ccccc2)CCN3CCCCC3

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.

CS(O)(=O)=O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1#155177

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; 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: 23.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 295.419 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.952; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Pridinol methanesulfonate salt