Molecule card · MolClass #1868

Cefepime hydrochloride

Cefepime 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: Cefepime hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 1868
InChIKey: HVFLCNVBZFFHBT-ZKDACBOMSA-O
Canonical SMILES: CON=C(C(=O)NC2C(=O)N3C(C(=O)O)=C(C[N+]1(C)(CCCC1))CSC23)c4csc(N)n4
Standard InChI: InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12-/t13-,17-/m1/s1
Stored Murcko scaffold: n1cscc1[CH][CH]NC2[CH]N3C=C(CSC32)C[NH+]4CCCC4

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.

[ClH-].O.CON=C(C(=O)NC1C2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C(O)=O)c1csc(N)n1#155054

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 200.75 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 481.572 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.409; 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 · Cefepime hydrochloride