Molecule card · MolClass #1704

Pimethixene maleate

Pimethixene maleate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: Pimethixene maleateFlucanozole Synergizer · compound_name
PIMETHIXENE MALEATECompound accumulation in C. elegans · compound_name
MolClass ID: 1704
InChIKey: NZLVRVYNQYGMAB-UHFFFAOYSA-N
Canonical SMILES: CN1CCC(CC1)=C3c2ccccc2Sc4ccccc34
Standard InChI: InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
Stored Murcko scaffold: S1c2ccccc2C(c3ccccc13)=C4CCNCC4

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.

CN1CCC(CC1)=C1c2ccccc2Sc2ccccc21.OC(=O)C=CC(O)=O#155340

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: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 28.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 293.428 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.035; 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 · Pimethixene maleate
Compound accumulation in C. elegans
Dataset #4 · 2.29513985652422