
 CHEMBL383798

 60 64  0  0  0  0  0  0  0  0999 V2000
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   -0.0292    2.9456    1.1125 C   0  0  0  0  0
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    3.0338    1.5485   -0.3274 C   0  0  0  0  0
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    5.6646    1.0345   -1.3242 N   0  0  0  0  0
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    4.6485   -2.4533   -1.7356 C   0  0  0  0  0
    7.9902   -1.4002   -4.1361 N   0  0  0  0  0
    8.4822   -1.8859   -5.3167 C   0  0  0  0  0
    9.6372   -1.5924   -5.6189 O   0  0  0  0  0
    7.5846   -2.5550   -6.1051 N   0  0  0  0  0
    7.8167   -3.1435   -7.3627 C   0  0  0  0  0
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    6.7017   -3.6196   -8.0665 C   0  0  0  0  0
    8.2573   -5.2004  -10.9651 O   0  0  0  0  0
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    9.4037   -7.0407   -9.8240 C   0  0  0  0  0
   10.3489   -8.0646   -9.8830 C   0  0  0  0  0
   11.0228   -8.3211  -11.0759 C   0  0  0  0  0
   10.7424   -7.5632  -12.2131 C   0  0  0  0  0
    9.8047   -6.5311  -12.1541 C   0  0  0  0  0
   -1.0253    1.0533    1.4665 H   0  0  0  0  0
   -1.2280    1.6887   -0.1755 H   0  0  0  0  0
    0.0781    2.9541    2.2041 H   0  0  0  0  0
   -0.7179    3.7486    0.8336 H   0  0  0  0  0
    1.2047    3.4135   -0.5929 H   0  0  0  0  0
    1.9600    3.8065    0.9747 H   0  0  0  0  0
    0.6641    0.6726   -0.9025 H   0  0  0  0  0
    0.8222   -0.1292    0.6746 H   0  0  0  0  0
    3.7587    2.3306   -0.0654 H   0  0  0  0  0
    2.7698    1.7079   -1.3818 H   0  0  0  0  0
    3.0046   -0.6240   -0.3564 H   0  0  0  0  0
    4.1112    0.0601    0.8544 H   0  0  0  0  0
    7.2885    1.1981   -2.6138 H   0  0  0  0  0
    6.8091   -3.8633   -3.9572 H   0  0  0  0  0
    4.8810   -4.4268   -2.5617 H   0  0  0  0  0
    3.8037   -2.7248   -1.1099 H   0  0  0  0  0
    8.5656   -0.6490   -3.7747 H   0  0  0  0  0
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    9.9810   -2.9386   -7.4176 H   0  0  0  0  0
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   10.5622   -8.6558   -8.9968 H   0  0  0  0  0
   11.7629   -9.1159  -11.1194 H   0  0  0  0  0
   11.2591   -7.7733  -13.1455 H   0  0  0  0  0
    9.5924   -5.9375  -13.0379 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
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 32 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL383798

>  <PubChem CID>
44402420

>  <Formula>
C26H27N5O2

>  <Molecular Weight>
441.535000

>  <IUPAC Name>
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-4-yl]urea

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=N2)C(=CC=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=N2)C(=CC=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H27N5O2/c32-26(28-20-11-13-22(14-12-20)33-21-7-2-1-3-8-21)29-24-9-6-10-25-23(24)19-27-31(25)18-17-30-15-4-5-16-30/h1-3,6-14,19H,4-5,15-18H2,(H2,28,29,32)

>  <InChI Key>
MIDCAWMZEJAYFN-UHFFFAOYSA-N

