Molecule card · MolClass #2028

Talampicillin hydrochloride

Talampicillin 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: Talampicillin hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 2028
InChIKey: SOROUYSPFADXSN-SUWVAFIASA-N
Canonical SMILES: CC5(C)(C(C(=O)OC2OC(=O)c1ccccc12)N4C(=O)C(NC(=O)C(N)c3ccccc3)C4S5)
Standard InChI: InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1
Stored Murcko scaffold: O1[CH]c2ccccc2C1O[CH]C3N4[CH]C(N[CH]Cc5ccccc5)C4SC3

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.

Cl.CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OC1OC(=O)c2ccccc12#155162

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 9; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 153.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 481.523 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.431; 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 · Talampicillin hydrochloride