
 CHEMBL523682

 72 75  0  0  0  0  0  0  0  0999 V2000
    0.8005    5.2099   -6.5932 C   0  0  0  0  0
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    6.4383    5.1688   -2.1500 N   0  0  0  0  0
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    6.4924    8.0796    2.9220 C   0  0  0  0  0
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    4.1934    7.7969   -2.7940 H   0  0  0  0  0
    3.9681    3.5204   -3.2634 H   0  0  0  0  0
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   14.9758    8.3178    0.4731 H   0  0  0  0  0
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   15.7296    4.8278   -0.6381 H   0  0  0  0  0
   12.0966    1.8600   -3.7448 H   0  0  0  0  0
   13.0302    2.5135   -2.3804 H   0  0  0  0  0
   13.8601    2.0060   -3.8721 H   0  0  0  0  0
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    9.8722    7.4991    1.1265 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL523682

>  <PubChem CID>
25218704

>  <Formula>
C30H32N4O6

>  <Molecular Weight>
544.608000

>  <IUPAC Name>
2-[(4-methoxyphenyl)methylamino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=C(C=C1)CNC2=NC=C(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NCCOC4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CNC2=NC=C(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NCCOC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H32N4O6/c1-36-22-12-10-20(11-13-22)18-32-30-33-19-24(29(35)31-14-15-40-23-8-6-5-7-9-23)27(34-30)21-16-25(37-2)28(39-4)26(17-21)38-3/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,31,35)(H,32,33,34)

>  <InChI Key>
CLINIMPOUCLOTA-UHFFFAOYSA-N

