
 CHEMBL1771261

 64 67  0  0  0  0  0  0  0  0999 V2000
    5.2372   -0.4578   -3.6430 C   0  0  0  0  0
    5.1897    0.1094   -2.2350 C   0  0  0  0  0
    3.9158    0.9163   -1.9944 C   0  0  0  0  0
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    5.2657    4.8954   -1.1781 C   0  0  0  0  0
    4.5509    3.7181   -1.4320 C   0  0  0  0  0
    5.2248    6.1042   -2.4243 Cl  0  0  0  0  0
    6.7425    6.2801    0.2663 C   0  0  0  0  0
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    4.8188    7.8401    0.6051 N   0  0  0  0  0
    4.5577    9.1034    0.7543 C   0  0  0  0  0
    5.5823   10.1812    0.8665 C   0  0  0  0  0
    6.8806    9.8270    0.7971 C   0  0  0  0  0
    7.1760    8.4393    0.6222 N   0  0  0  0  0
    8.3951    7.8311    0.4996 N   0  0  0  0  0
    8.1297    6.5416    0.2754 C   0  0  0  0  0
    9.2511    5.5933    0.0597 C   0  0  0  0  0
    7.8792   10.8033    0.8913 N   0  0  0  0  0
    9.2999   10.6735    0.5866 C   0  0  0  0  0
    9.5552   10.6480   -0.9347 C   0  0  0  0  0
   10.9970   10.6560   -1.2356 N   0  0  0  0  0
   11.2805   10.5912   -2.6822 C   0  0  0  0  0
   10.9164   11.8839   -3.4288 C   0  0  0  0  0
   11.8482   13.0272   -3.0482 C   0  0  0  0  0
   13.2053   12.6761   -3.3236 O   0  0  0  0  0
   13.6247   11.5483   -2.5540 C   0  0  0  0  0
   12.7812   10.3224   -2.8883 C   0  0  0  0  0
    3.1088    9.5188    0.8122 C   0  0  0  0  0
    6.8559    4.0759    2.4404 Cl  0  0  0  0  0
    6.1338   -1.0713   -3.7756 H   0  0  0  0  0
    5.2649    0.3464   -4.3856 H   0  0  0  0  0
    4.3626   -1.0835   -3.8468 H   0  0  0  0  0
    6.0744    0.7329   -2.0623 H   0  0  0  0  0
    5.2458   -0.7052   -1.5030 H   0  0  0  0  0
    3.0520    0.2426   -2.0364 H   0  0  0  0  0
    3.7547    1.6580   -2.7819 H   0  0  0  0  0
    5.3025    1.9999    1.3881 H   0  0  0  0  0
    3.9560    3.6576   -2.3370 H   0  0  0  0  0
    5.2525   11.2016    0.9990 H   0  0  0  0  0
   10.0154    6.0371   -0.5869 H   0  0  0  0  0
    8.9099    4.6696   -0.4176 H   0  0  0  0  0
    9.7173    5.3331    1.0154 H   0  0  0  0  0
    7.5432   11.7618    0.8667 H   0  0  0  0  0
    9.7432    9.8088    1.0896 H   0  0  0  0  0
    9.8046   11.5503    1.0116 H   0  0  0  0  0
    9.0708   11.5278   -1.3712 H   0  0  0  0  0
    9.0851    9.7631   -1.3779 H   0  0  0  0  0
   11.4029    9.8316   -0.7856 H   0  0  0  0  0
   10.7239    9.7505   -3.1155 H   0  0  0  0  0
    9.8738   12.1739   -3.2693 H   0  0  0  0  0
   11.0234   11.6927   -4.5050 H   0  0  0  0  0
   11.6098   13.9122   -3.6468 H   0  0  0  0  0
   11.7454   13.3078   -1.9935 H   0  0  0  0  0
   14.6730   11.3528   -2.8018 H   0  0  0  0  0
   13.5824   11.7961   -1.4871 H   0  0  0  0  0
   12.9392   10.0676   -3.9446 H   0  0  0  0  0
   13.1152    9.4595   -2.3004 H   0  0  0  0  0
    3.0025   10.6047    0.8749 H   0  0  0  0  0
    2.6369    9.0641    1.6877 H   0  0  0  0  0
    2.5985    9.1685   -0.0903 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 42  1  0  0  0
 12 20  1  0  0  0
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 32 63  1  0  0  0
 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771261

>  <PubChem CID>
9805674

>  <Formula>
C24H31Cl2N5O2

>  <Molecular Weight>
492.445000

>  <IUPAC Name>
N'-[3-(2,6-dichloro-4-propoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(oxan-4-yl)ethane-1,2-diamine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCOC1=CC(=C(C(=C1)Cl)C2=C3N=C(C=C(N3N=C2C)NCCNC4CCOCC4)C)Cl

>  <Isomeric SMILES>
CCCOC1=CC(=C(C(=C1)Cl)C2=C3N=C(C=C(N3N=C2C)NCCNC4CCOCC4)C)Cl

>  <InChI Std. ID>
InChI=1S/C24H31Cl2N5O2/c1-4-9-33-18-13-19(25)23(20(26)14-18)22-16(3)30-31-21(12-15(2)29-24(22)31)28-8-7-27-17-5-10-32-11-6-17/h12-14,17,27-28H,4-11H2,1-3H3

>  <InChI Key>
BDXJFKAUYFPXFH-UHFFFAOYSA-N

