
 CHEMBL88633

 59 61  0  0  0  0  0  0  0  0999 V2000
    8.8115   -0.4749   -4.0073 C   0  0  0  0  0
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    7.9114   -0.1239   -4.5047 H   0  0  0  0  0
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    9.3766    0.4124   -3.7042 H   0  0  0  0  0
   10.4697   -2.1219   -2.6992 H   0  0  0  0  0
    9.5254   -2.2794   -1.2041 H   0  0  0  0  0
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   -3.6431   -8.7347    1.0178 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
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  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
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  6  7  2  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88633

>  <PubChem CID>
44323803

>  <Formula>
C21H30N6O2

>  <Molecular Weight>
398.511000

>  <IUPAC Name>
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyrimidine-4-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)C(=O)C1=NC=NC=C1NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=NC=NC=C1NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C21H30N6O2/c1-25(2)21(28)20-17(15-22-16-24-20)23-9-6-10-26-11-13-27(14-12-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15-16,23H,6,9-14H2,1-3H3

>  <InChI Key>
GMYYIJWKRJLTMK-UHFFFAOYSA-N

