Structure of molecule 1431

Molecule card · MolClass #1431

Galanthamine hydrobromide

Galanthamine hydrobromide: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Galanthamine hydrobromideFlucanozole Synergizer · compound_name
26719770Mitochondrial Fusion · compound_name
MolClass ID
1431
InChIKey
ASUTZQLVASHGKV-JDFRZJQESA-N
Canonical SMILES
COc1ccc2CN(C)CCC34(C=CC(O)CC4(Oc1c23))
Standard InChI
InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
Stored Murcko scaffold
O1c2cccc3c2C4(C=CCCC14)CCNC3

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.

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
1
CDK 2.12 · 2026-08-19
Topological polar surface area
41.93 Ų
CDK 2.12 · 2026-08-19
Molecular weight
287.354 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.575
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 · Galanthamine hydrobromide

  • Mitochondrial Fusion

    Dataset #19 · 26719770