Molecule card · MolClass #916

LOPAC 00303

LOPAC 00303: 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: (-)-Quinpirole hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
MolClass ID: 916
InChIKey: Not recorded
Canonical SMILES: [H]C13(CCCN(CCC)C3([H])(Cc2c[nH]nc2(C1)))
Standard InChI: null
Stored Murcko scaffold: n1[nH]cc2c1CC3CCCNC3C2

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.

LOPAC 01178#952
(-)-Quinpirole hydrochloride#1456

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 31.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 219.326 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.209; 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.

Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 948