Structure of molecule 1853

Molecule card · MolClass #1853

Fluorocurarine chloride

Fluorocurarine chloride: 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
Fluorocurarine chlorideFlucanozole Synergizer · compound_name
56463078Antifungal Pump Inhibitors · compound_name
MolClass ID
1853
InChIKey
ZEMNDQUOMWGCAZ-VFOBXXQCSA-O
Canonical SMILES
CC=C3C[N+]2(C)(CCC14(c5ccccc5(NC4(=C(C=O)C3(CC12)))))
Standard InChI
InChI=1S/C20H22N2O/c1-3-13-11-22(2)9-8-20-16-6-4-5-7-17(16)21-19(20)15(12-23)14(13)10-18(20)22/h3-7,12,14,18H,8-11H2,1-2H3/p+1/b13-3-/t14-,18-,20?,22?/m0/s1
Stored Murcko scaffold
c1ccc2c(c1)NC3=CC4[CH]C[NH+]5CCC32C5C4

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
29.1 Ų
CDK 2.12 · 2026-08-19
Molecular weight
307.41 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.441
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 · Fluorocurarine chloride

  • Antifungal Pump Inhibitors

    Dataset #18 · 56463078