Structure of molecule 1588

Molecule card · MolClass #1588

Fipexide hydrochloride

Fipexide hydrochloride: 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
Fipexide hydrochlorideFlucanozole Synergizer · compound_name
FIPEXIDE HYDROCHLORIDECompound accumulation in C. elegans · compound_name
MolClass ID
1588
InChIKey
BFUJHVVEMMWLHC-UHFFFAOYSA-N
Canonical SMILES
O=C(COc1ccc(cc1)Cl)N2CCN(CC2)Cc3ccc4OCOc4(c3)
Standard InChI
InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
Stored Murcko scaffold
O(c1ccccc1)C[CH]N2CCN(Cc3ccc4OCOc4c3)CC2

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
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
51.24 Ų
CDK 2.12 · 2026-08-19
Molecular weight
388.845 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.715
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 · Fipexide hydrochloride

  • Compound accumulation in C. elegans

    Dataset #4 · 1.72048127863359