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Chemistry

Mol. Mass

426.48

ALogP

2.84

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1
  • InChIKey: BUXIAWLTBSXYSW-UHFFFAOYSA-N
    InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297856   ChEMBL
zimberelimab

CHEMBL4740383   ChEMBL
etrumadenant

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