
 CHEMBL426292

 60 64  0  0  0  0  0  0  0  0999 V2000
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    5.5957    1.5281   -1.7936 N   0  0  0  0  0
   -0.4826   -0.0091    2.1014 H   0  0  0  0  0
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    1.1671   -0.9024   -0.1562 H   0  0  0  0  0
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    2.8382    2.0840   -1.2982 H   0  0  0  0  0
    2.4042    0.4274   -1.6947 H   0  0  0  0  0
    3.8576   -0.3176    0.3095 H   0  0  0  0  0
    4.3508    1.3654    0.5086 H   0  0  0  0  0
    7.9730   -1.1553   -4.0078 H   0  0  0  0  0
    5.8159   -4.0978   -1.6793 H   0  0  0  0  0
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    7.0853    1.6700   -3.2437 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
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  3  4  1  0  0  0
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  4  5  1  0  0  0
  4  6  1  0  0  0
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  5 41  1  0  0  0
  6  7  1  0  0  0
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  7  8  1  0  0  0
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  8  9  1  0  0  0
  8 33  1  0  0  0
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  9 10  2  0  0  0
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 32 33  2  0  0  0
 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL426292

>  <PubChem CID>
11419337

>  <Formula>
C26H27N5O2

>  <Molecular Weight>
441.535000

>  <IUPAC Name>
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

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

>  <InChI Key>
OHLRSGMODYTCJK-UHFFFAOYSA-N

