Molecule card · MolClass #1425

Furaltadone hydrochloride

Furaltadone hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: Furaltadone hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 1425
InChIKey: YVQVOQKFMFRVGR-VGOFMYFVSA-N
Canonical SMILES: O=C3OC(CN1CCOCC1)CN3(N=Cc2ccc(o2)[N+](=O)[O-])
Standard InChI: InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+
Stored Murcko scaffold: N(=Cc1occc1)N2[CH]OC(C2)CN3CCOCC3

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.

56463224#33844
Cl.[O-][N+](=O)c1oc(cc1)C=NN1CC(CN2CCOCC2)OC1=O#155215

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 110.65 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 324.29 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.386; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Furaltadone hydrochloride