
 CHEMBL1778145

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1778145

>  <PubChem CID>
54583650

>  <Formula>
C24H30N4O4

>  <Molecular Weight>
438.528000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CC3CCC(C2)N3C(=O)OC(C)C4CC4)OC5=C(N=CC=C5)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)C4CC4)OC5=C(N=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C24H30N4O4/c1-14-22(26-13-27-23(14)32-21-5-4-10-25-15(21)2)31-20-11-18-8-9-19(12-20)28(18)24(29)30-16(3)17-6-7-17/h4-5,10,13,16-20H,6-9,11-12H2,1-3H3/t16?,18-,19-/m0/s1

>  <InChI Key>
FDSDOZCPFJXOEY-MSYFUGIWSA-N

