Molecule card · MolClass #1501

Pseudopelletierine hydrochloride

Pseudopelletierine hydrochloride: 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: Pseudopelletierine hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 1501
InChIKey: RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Canonical SMILES: CN2C1CCCC2(CC(=O)C1)
Standard InChI: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
Stored Murcko scaffold: [CH]1CC2NC(C1)CCC2

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.CN1C2CCCC1CC(=O)C2#155264

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: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 20.31 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 153.222 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.426; 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 · Pseudopelletierine hydrochloride