Molecule card · MolClass #1503

Sparteine (-)

Sparteine (-): 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: Sparteine (-)Flucanozole Synergizer · compound_name
MolClass ID: 1503
InChIKey: SLRCCWJSBJZJBV-ZQDZILKHSA-N
Canonical SMILES: C3CCN4CC1CC(CN2CCCCC12)C4(C3)
Standard InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
Stored Murcko scaffold: N12CCCCC1C3CN4CCCCC4C(C2)C3

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.

C1CCN2CC3CC(CN4CCCCC34)C2C1#155266
C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O#155690
C1CCN2CC3CC(CN4CCCCC34)C2C1.I#156079

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: 6.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 234.381 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.12; 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 · Sparteine (-)