
 CHEMBL88856

 57 59  0  0  0  0  0  0  0  0999 V2000
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    1.6797    3.0884   -2.0041 H   0  0  0  0  0
    1.2434    4.7036   -1.4052 H   0  0  0  0  0
    5.4565    1.8137    4.7329 H   0  0  0  0  0
    5.0302    4.1336    3.9095 H   0  0  0  0  0
    3.7882    4.4144    1.7701 H   0  0  0  0  0
    3.5349   -0.0980    0.3997 H   0  0  0  0  0
    3.3955   -1.3826    3.1080 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88856

>  <PubChem CID>
10500734

>  <Formula>
C22H28N6O

>  <Molecular Weight>
392.507000

>  <IUPAC Name>
2-[3-[4-(2-cyanophenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C#N

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C#N

>  <InChI Std. ID>
InChI=1S/C22H28N6O/c1-26(2)22(29)19-8-5-10-24-21(19)25-11-6-12-27-13-15-28(16-14-27)20-9-4-3-7-18(20)17-23/h3-5,7-10H,6,11-16H2,1-2H3,(H,24,25)

>  <InChI Key>
MMUHZWIMYVCCMO-UHFFFAOYSA-N

