
 CHEMBL291896

 78 82  0  0  0  0  0  0  0  0999 V2000
    1.7197   -0.2725   -0.7657 C   0  0  0  0  0
    2.3037    0.1752    0.5608 C   0  0  0  0  0
    2.9347    1.4579    0.4193 O   0  0  0  0  0
    4.2264    1.4507   -0.0104 C   0  0  0  0  0
    4.8599    0.4449   -0.2889 O   0  0  0  0  0
    4.7627    2.8301   -0.0861 C   0  0  0  0  0
    3.9383    3.8925   -0.0849 C   0  0  0  0  0
    4.3547    5.2093   -0.1566 N   0  0  0  0  0
    5.6855    5.4850   -0.2218 C   0  0  0  0  0
    6.2691    6.6460   -0.3045 N   0  0  0  0  0
    7.6205    6.4131   -0.2287 C   0  0  0  0  0
    7.8772    5.0494   -0.1380 C   0  0  0  0  0
    6.6053    4.4510   -0.1879 N   0  0  0  0  0
    6.2292    3.0928   -0.1722 C   0  0  0  0  0
    7.0917    2.2267   -0.2140 O   0  0  0  0  0
    9.1383    4.2850    0.1134 C   0  0  0  0  0
   10.0966    4.2726   -1.0067 N   0  0  0  0  0
   11.2935    3.5296   -0.5852 C   0  0  0  0  0
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   11.7083    2.6537   -5.2017 C   0  0  0  0  0
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    8.7549    9.9559    0.2163 C   0  0  0  0  0
    8.0307    8.7651    0.3132 C   0  0  0  0  0
   10.7234   11.1463   -0.6762 N   0  0  0  0  0
   10.2539   12.4477   -0.5710 C   0  0  0  0  0
    9.1581   12.7924   -0.1450 O   0  0  0  0  0
   11.1813   13.3423   -1.1002 N   0  0  0  0  0
   10.8077   14.7025   -0.9124 O   0  0  0  0  0
   10.1925   15.1653   -2.1129 C   0  0  0  0  0
    3.4311    6.3568   -0.0497 C   0  0  0  0  0
    3.2103    6.7632    1.3835 C   0  0  0  0  0
    2.2810    6.1060    2.1891 C   0  0  0  0  0
    2.1057    6.4462    3.5319 C   0  0  0  0  0
    2.8782    7.4584    4.0981 C   0  0  0  0  0
    3.8004    8.1384    3.3077 C   0  0  0  0  0
    3.9461    7.7971    1.9635 C   0  0  0  0  0
    4.7940    8.5165    1.2208 F   0  0  0  0  0
    1.5218    5.1291    1.6727 F   0  0  0  0  0
    1.1833   -1.2190   -0.6534 H   0  0  0  0  0
    2.5048   -0.4033   -1.5168 H   0  0  0  0  0
    1.0282    0.4815   -1.1558 H   0  0  0  0  0
    3.0006   -0.5667    0.9666 H   0  0  0  0  0
    1.4988    0.2957    1.2935 H   0  0  0  0  0
    2.8569    3.7871   -0.0279 H   0  0  0  0  0
    8.9475    3.2681    0.4646 H   0  0  0  0  0
    9.6229    4.7807    0.9674 H   0  0  0  0  0
   11.7004    3.9478    0.3430 H   0  0  0  0  0
   12.0985    3.6081   -1.3229 H   0  0  0  0  0
   11.0798    2.4676   -0.4157 H   0  0  0  0  0
    8.6323    4.2539   -2.5414 H   0  0  0  0  0
    9.2115    2.6610   -2.0698 H   0  0  0  0  0
   10.4599    1.6330   -3.7848 H   0  0  0  0  0
   11.9896    1.7399   -5.7178 H   0  0  0  0  0
   12.8915    3.9205   -6.4820 H   0  0  0  0  0
   12.2416    6.0081   -5.3084 H   0  0  0  0  0
   10.6995    5.9189   -3.3800 H   0  0  0  0  0
   10.2369    6.6643   -1.1685 H   0  0  0  0  0
   11.5156    8.7170   -1.3196 H   0  0  0  0  0
    8.2915   10.8561    0.6049 H   0  0  0  0  0
    7.0377    8.8048    0.7548 H   0  0  0  0  0
   11.5852   11.0309   -1.1871 H   0  0  0  0  0
   12.1460   13.1695   -0.8506 H   0  0  0  0  0
    9.8785   16.2011   -1.9604 H   0  0  0  0  0
    9.3068   14.5676   -2.3537 H   0  0  0  0  0
   10.9056   15.1315   -2.9423 H   0  0  0  0  0
    2.4642    6.0965   -0.5022 H   0  0  0  0  0
    3.7868    7.2110   -0.6409 H   0  0  0  0  0
    1.3679    5.9171    4.1271 H   0  0  0  0  0
    2.7566    7.7239    5.1451 H   0  0  0  0  0
    4.4068    8.9392    3.7214 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL291896

>  <PubChem CID>
44305285

>  <Formula>
C33H32F2N6O5

>  <Molecular Weight>
630.653000

>  <IUPAC Name>
ethyl 3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(methoxycarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCOC(=O)C1=CN(C2=NC(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NOC)CC5=C(C=CC=C5F)F

>  <Isomeric SMILES>
CCOC(=O)C1=CN(C2=NC(=C(N2C1=O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NOC)CC5=C(C=CC=C5F)F

>  <InChI Std. ID>
InChI=1S/C33H32F2N6O5/c1-4-46-31(43)25-19-40(18-24-26(34)11-8-12-27(24)35)33-37-29(22-13-15-23(16-14-22)36-32(44)38-45-3)28(41(33)30(25)42)20-39(2)17-21-9-6-5-7-10-21/h5-16,19H,4,17-18,20H2,1-3H3,(H2,36,38,44)

>  <InChI Key>
ARKXMZVKTXQLIR-UHFFFAOYSA-N

