
 PF-5274857

 54 56  0  0  0  0  0  0  0  0999 V2000
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    8.8921    1.1512    1.0989 N   0  0  0  0  0
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    9.2352    0.2763   -2.1207 H   0  0  0  0  0
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   13.0300    8.2152   -1.5849 H   0  0  0  0  0
   11.7703    8.7623   -2.7208 H   0  0  0  0  0
   13.4547   10.4389   -3.9041 H   0  0  0  0  0
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M  END

>  <Chemical Name>
PF-5274857

>  <PubChem CID>
56956240

>  <Formula>
C20H25ClN4O3S

>  <Molecular Weight>
436.955000

>  <IUPAC Name>
1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C

>  <Isomeric SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C

>  <InChI Std. ID>
InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3

>  <InChI Key>
BBVNTTZIOTWDSV-UHFFFAOYSA-N

