Molecule card · MolClass #1424

Eburnamonine (-)

Eburnamonine (-): molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: Eburnamonine (-)Flucanozole Synergizer · compound_name
MolClass ID: 1424
InChIKey: WYJAPUKIYAZSEM-MOPGFXCFSA-N
Canonical SMILES: CCC25(CCCN4CCc3c1ccccc1n(C(=O)C2)c3C45)
Standard InChI: InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
Stored Murcko scaffold: c1ccc2c(c1)c3c4n2[CH]CC5CCCN(CC3)C45

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.

CCC12CCCN3CCc4c5ccccc5n(C(=O)C1)c4C32#155200

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: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 25.24 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 294.391 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.388; 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 · Eburnamonine (-)