
 CHEMBL315785

 69 72  0  0  0  0  0  0  0  0999 V2000
   12.2296   -0.8398   -5.3396 C   0  0  0  0  0
   12.2323   -0.4053   -3.9194 C   0  0  0  0  0
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    9.8403    1.5612    1.9735 N   0  0  0  0  0
    9.5351    2.3535    3.1518 C   0  0  0  0  0
    8.7209    0.9182    1.3051 C   0  0  0  0  0
   10.0315    2.0405   -1.2289 N   0  0  0  0  0
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    4.1159    9.9134    0.5276 C   0  0  0  0  0
    1.2685   11.7143   -0.7998 F   0  0  0  0  0
    3.3849    7.7318   -2.3392 O   0  0  0  0  0
    2.8599    7.9357   -3.6445 C   0  0  0  0  0
   12.5085   -1.8949   -5.4291 H   0  0  0  0  0
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   15.1962   -1.1094   -2.5813 H   0  0  0  0  0
   14.7602   -1.2187   -4.2973 H   0  0  0  0  0
   14.2827   -2.5376   -3.1754 H   0  0  0  0  0
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    8.4609    2.5416    3.2282 H   0  0  0  0  0
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    8.1362    1.6871    0.7911 H   0  0  0  0  0
    8.0865    0.4406    2.0582 H   0  0  0  0  0
    9.8618    1.9974   -2.2415 H   0  0  0  0  0
   11.1383    3.8385   -1.3416 H   0  0  0  0  0
   10.4920    3.4863    0.2595 H   0  0  0  0  0
    8.1456    3.6056   -1.1009 H   0  0  0  0  0
    9.1107    4.6617   -2.1298 H   0  0  0  0  0
    9.7960    5.9355   -0.0238 H   0  0  0  0  0
    8.6452    4.9628    0.8972 H   0  0  0  0  0
    8.6914    7.9742    0.4948 H   0  0  0  0  0
    7.4974    7.1104    1.4693 H   0  0  0  0  0
    6.6499    9.2770    0.8357 H   0  0  0  0  0
    6.9621    9.0083   -0.8864 H   0  0  0  0  0
    4.4083    6.1520   -0.9248 H   0  0  0  0  0
    5.5838    6.9625   -2.0180 H   0  0  0  0  0
    6.1885    5.2982    0.4705 H   0  0  0  0  0
    6.4327    4.8698   -1.2277 H   0  0  0  0  0
    1.5557    9.7035   -2.3469 H   0  0  0  0  0
    3.0418   11.7035    1.0951 H   0  0  0  0  0
    4.7623    9.9864    1.3980 H   0  0  0  0  0
    3.2677    7.1518   -4.2905 H   0  0  0  0  0
    3.1649    8.9012   -4.0615 H   0  0  0  0  0
    1.7708    7.8300   -3.6414 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL315785

>  <PubChem CID>
10743446

>  <Formula>
C25H34FN7O2

>  <Molecular Weight>
483.592000

>  <IUPAC Name>
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NC2=C(C(=CN=C2N1C)C(=O)N(C)C)NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <Isomeric SMILES>
CC1=NC2=C(C(=CN=C2N1C)C(=O)N(C)C)NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <InChI Std. ID>
InChI=1S/C25H34FN7O2/c1-17-29-23-22(19(25(34)30(2)3)16-28-24(23)31(17)4)27-9-6-10-32-11-13-33(14-12-32)20-8-7-18(26)15-21(20)35-5/h7-8,15-16H,6,9-14H2,1-5H3,(H,27,28)

>  <InChI Key>
WVWJSNRBDAWBBF-UHFFFAOYSA-N

