Molecule card · MolClass #1576

Oxantel pamoate

Oxantel pamoate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: Oxantel pamoateFlucanozole Synergizer · compound_name
MolClass ID: 1576
InChIKey: SMMANLSONJQFJC-UHFFFAOYSA-N
Canonical SMILES: OC(=O)c4c(O)cc1ccccc1c4(Cc2c3ccccc3(cc(O)c2(C(=O)O)))
Standard InChI: InChI=1S/C23H16O6/c24-18-9-12-5-1-3-7-14(12)16(20(18)22(26)27)11-17-15-8-4-2-6-13(15)10-19(25)21(17)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
Stored Murcko scaffold: c1ccc2c(c1)cccc2Cc3cccc4ccccc43

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.

3546-41-6#9011
11980902#9790
56463155#34183

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 4; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 115.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 388.37 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.796; 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 · Oxantel pamoate