
 CHEMBL1771263

 64 67  0  0  0  0  0  0  0  0999 V2000
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    5.8106   -4.8168    1.9939 Cl  0  0  0  0  0
    0.5286    0.9070    1.0540 H   0  0  0  0  0
    0.4939   -0.6881    1.8449 H   0  0  0  0  0
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    2.6514    1.8692    1.0622 H   0  0  0  0  0
    4.8051    2.8090    0.9191 H   0  0  0  0  0
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    7.4463    0.6820   -1.7802 H   0  0  0  0  0
    7.1247    2.0069   -2.9055 H   0  0  0  0  0
    5.8224    1.3684   -1.9279 H   0  0  0  0  0
    6.6143    4.6489   -0.2175 H   0  0  0  0  0
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    6.8036    4.4592   -1.9589 H   0  0  0  0  0
    9.0611    2.2334    0.0057 H   0  0  0  0  0
    9.4193    1.8478   -2.3399 H   0  0  0  0  0
    8.2977    3.9600   -3.2766 H   0  0  0  0  0
    9.9451    3.6916   -3.7858 H   0  0  0  0  0
    9.6288    6.0491   -3.1566 H   0  0  0  0  0
    9.1634    5.6042   -1.5123 H   0  0  0  0  0
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    1.5181   -7.9943   -2.0846 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
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  6  7  2  0  0  0
  6 23  1  0  0  0
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  9 11  1  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771263

>  <PubChem CID>
54583519

>  <Formula>
C24H31Cl2N5O2

>  <Molecular Weight>
492.445000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCC(C)(C)NC3CCOCC3)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCC(C)(C)NC3CCOCC3)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <InChI Std. ID>
InChI=1S/C24H31Cl2N5O2/c1-14-10-20(27-13-24(3,4)29-16-6-8-33-9-7-16)31-23(28-14)21(15(2)30-31)22-18(25)11-17(32-5)12-19(22)26/h10-12,16,27,29H,6-9,13H2,1-5H3

>  <InChI Key>
ATUVDIADSMQSEJ-UHFFFAOYSA-N

