
 CHEMBL1771264

 60 63  0  0  0  0  0  0  0  0999 V2000
    0.7978   -0.2036    1.1020 C   0  0  0  0  0
    2.2855   -0.2193    0.8527 C   0  0  0  0  0
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    5.0283    2.2999    0.6235 N   0  0  0  0  0
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    8.2613    4.1797   -3.2045 C   0  0  0  0  0
    8.6739    5.5606   -2.6976 C   0  0  0  0  0
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   10.8699    3.0249   -3.6528 F   0  0  0  0  0
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    3.8167   -4.2662   -1.0004 C   0  0  0  0  0
    3.1663   -3.2636   -2.2590 Cl  0  0  0  0  0
    3.7301   -7.8540   -0.0445 O   0  0  0  0  0
    3.1328   -8.4424   -1.1947 C   0  0  0  0  0
    6.2709   -4.2029    2.2058 Cl  0  0  0  0  0
    0.4173    0.8152    1.2107 H   0  0  0  0  0
    0.5773   -0.7658    2.0134 H   0  0  0  0  0
    0.2884   -0.6787    0.2577 H   0  0  0  0  0
    2.4255    1.9899    1.0763 H   0  0  0  0  0
    4.4880    3.1395    0.8016 H   0  0  0  0  0
    7.0185    1.7057    1.0580 H   0  0  0  0  0
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    6.3553    3.5114   -1.3386 H   0  0  0  0  0
    6.7067    1.7876   -1.4894 H   0  0  0  0  0
    8.8653    2.2370   -0.4883 H   0  0  0  0  0
    8.6498    2.0885   -2.8678 H   0  0  0  0  0
    7.1694    4.1071   -3.2366 H   0  0  0  0  0
    8.5913    4.0734   -4.2465 H   0  0  0  0  0
    8.2365    6.3325   -3.3409 H   0  0  0  0  0
    8.2762    5.7261   -1.6892 H   0  0  0  0  0
   10.5635    5.7099   -3.7168 H   0  0  0  0  0
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    2.1015   -8.0988   -1.3224 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  2  3  2  0  0  0
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  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771264

>  <PubChem CID>
9956814

>  <Formula>
C23H28Cl2FN5O

>  <Molecular Weight>
480.409000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCCCC3F)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCCCC3F)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <InChI Std. ID>
InChI=1S/C23H28Cl2FN5O/c1-13-10-20(28-9-8-27-19-7-5-4-6-18(19)26)31-23(29-13)21(14(2)30-31)22-16(24)11-15(32-3)12-17(22)25/h10-12,18-19,27-28H,4-9H2,1-3H3

>  <InChI Key>
BWLZMTCKRMQEHI-UHFFFAOYSA-N

