
 CHEMBL499729

 92 96  0  0  0  0  0  0  0  0999 V2000
    1.2056    3.7344   -2.7556 C   0  0  0  0  0
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    5.8122    0.1338   -5.6259 H   0  0  0  0  0
    4.9557   -1.1493   -7.4677 H   0  0  0  0  0
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    4.4238    2.1488   -9.8386 H   0  0  0  0  0
    4.2821    2.4503   -8.1245 H   0  0  0  0  0
    6.6348    1.0413   -9.5031 H   0  0  0  0  0
    6.6786    2.6800   -9.0129 H   0  0  0  0  0
    1.4701    1.5490  -13.9613 H   0  0  0  0  0
    5.6378   -0.2478  -11.1423 H   0  0  0  0  0
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    5.1170    6.2642    1.9625 H   0  0  0  0  0
    5.9636    5.4181    3.2755 H   0  0  0  0  0
    3.9123    4.2096    2.7213 H   0  0  0  0  0
    4.3568    4.0957    1.0178 H   0  0  0  0  0
    7.0302    1.7816    1.7059 H   0  0  0  0  0
    6.1918    2.6411    0.4123 H   0  0  0  0  0
    8.0115    3.8283    2.5771 H   0  0  0  0  0
    8.3929    3.6938    0.8518 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL499729

>  <PubChem CID>
25230896

>  <Formula>
C32H51N5O4

>  <Molecular Weight>
569.791000

>  <IUPAC Name>
oxan-4-yl 5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1CN(CCC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)C(=O)OC5CCOCC5

>  <Isomeric SMILES>
CCCCC1CN(CCC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)C(=O)OC5CCOCC5

>  <InChI Std. ID>
InChI=1S/C32H51N5O4/c1-5-6-7-26-22-36(30(39)41-27-8-20-40-21-9-27)17-12-32(26)13-18-37(19-14-32)31(4)10-15-35(16-11-31)29(38)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3

>  <InChI Key>
ABQNGYAYTGTYRC-UHFFFAOYSA-N

