
 CHEMBL32507

 59 62  0  0  0  0  0  0  0  0999 V2000
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    7.7113   11.8058    4.3793 C   0  0  0  0  0
   10.6642   13.8187    6.8446 I   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL32507

>  <PubChem CID>
10153190

>  <Formula>
C23H24IN7O4

>  <Molecular Weight>
589.394000

>  <IUPAC Name>
2-[6-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyridazin-3-yl]oxy-N-(4-iodophenyl)acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=NN=C(C=C3)OCC(=O)NC4=CC=C(C=C4)I

>  <Isomeric SMILES>
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=NN=C(C=C3)OCC(=O)NC4=CC=C(C=C4)I

>  <InChI Std. ID>
InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27)

>  <InChI Key>
ANRXJTQUUKQYBV-UHFFFAOYSA-N

