
 CHEMBL1766082

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1766082

>  <PubChem CID>
54584353

>  <Formula>
C22H28N4O5

>  <Molecular Weight>
428.489000

>  <IUPAC Name>
propan-2-yl 9-[5-methyl-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2C3CN(CC2COC3)C(=O)OC(C)C)OC4=C(N=CC=C4)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2C3CN(CC2COC3)C(=O)OC(C)C)OC4=C(N=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3

>  <InChI Key>
RDCVTCCVZBQMNZ-UHFFFAOYSA-N

