
 CHEMBL1778144

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1778144

>  <PubChem CID>
54580685

>  <Formula>
C23H28N4O4

>  <Molecular Weight>
424.501000

>  <IUPAC Name>
cyclopropylmethyl (1S,5S)-3-[5-methyl-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CC3CCC(C2)N3C(=O)OCC4CC4)OC5=C(N=CC=C5)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OCC4CC4)OC5=C(N=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C23H28N4O4/c1-14-21(25-13-26-22(14)31-20-4-3-9-24-15(20)2)30-19-10-17-7-8-18(11-19)27(17)23(28)29-12-16-5-6-16/h3-4,9,13,16-19H,5-8,10-12H2,1-2H3/t17-,18-/m0/s1

>  <InChI Key>
JDZJEUOIGPNXEZ-ROUUACIJSA-N

