Structure of molecule 1825

Molecule card · MolClass #1825

Fluvastatin sodium salt

Fluvastatin sodium salt: 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
Fluvastatin sodium saltFlucanozole Synergizer · compound_name
56463084Antifungal Pump Inhibitors · compound_name
MolClass ID
1825
InChIKey
FJLGEFLZQAZZCD-JUFISIKESA-M
Canonical SMILES
CC(C)n2c3ccccc3(c(c1ccc(F)cc1)c2(C=CC(O)CC(O)CC(=O)[O-]))
Standard InChI
InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m0/s1
Stored Murcko scaffold
c1ccc(cc1)-c2c[nH]c3ccccc32

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
8
CDK 2.12 · 2026-08-19
Topological polar surface area
85.52 Ų
CDK 2.12 · 2026-08-19
Molecular weight
410.459 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.033
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 · Fluvastatin sodium salt

  • Antifungal Pump Inhibitors

    Dataset #18 · 56463084