AZM757

Structure and identifiers

MolClass ID

92739

InChIKey

LTINZAODLRIQIX-FBXRGJNPSA-N

Canonical SMILES

[H]C3(NC(=O)C(=NOC)c1csc(N)n1)(C(=O)N2C(C(=O)OC(C)OC(=O)OC(C)C)=C(COC)CSC23([H]))

Standard InChI

InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1

Stored Murcko scaffold

n1cscc1[CH][CH]NC2[CH]N3C=CCSC32

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.

• LOPAC 00795#234
• Cefotaxime sodium salt#1712
• Cefixime#1869
• 103175310#25482
• 49648844#26351
• [Na+].[O-]C(=O)C1N2C(SCC=1COC(C)=O)C(NC(=O)C(=NOC)c1csc(N)n1)C2=O#153919
• Nc1scc(n1)C(=NOCC(O)=O)C(=O)NC1C2SCC(C=C)=C(N2C1=O)C(O)=O#155056
• Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1#156070
• C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NO)c3csc(N)n3)C2SC1#156071
• COCC1CSC2C(NC(=O)C(=NOC)c3csc(N)n3)C(=O)N2C=1C(=O)OC(C)OC(=O)OC(C)C#156160

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors

12

CDK 2.12 · 2026-08-19

Hydrogen bond donors

2

CDK 2.12 · 2026-08-19

Rotatable bonds

14

CDK 2.12 · 2026-08-19

Topological polar surface area

234.51 Ų

CDK 2.12 · 2026-08-19

Molecular weight

557.6 g/mol

CDK 2.12 · 2026-08-19

XLogP

1.236

CDK 2.12 · 2026-08-19

Source datasets

Dataset registrations and identifiers stored in MolClass.

• Microsome Clearance (AZ Hackathon)

  Dataset #31 · AZM757