
 CHEMBL372291

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.5561   -1.2425    3.1056 C   0  0  0  0  0
    2.2265   -2.6073    3.1292 C   0  0  0  0  0
    3.3265   -2.4945    2.0919 C   0  0  0  0  0
    2.7010   -1.6583    1.0620 N   0  0  0  0  0
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    3.6959   -1.1335    0.1131 C   0  0  0  0  0
    3.0687   -0.4092   -1.0852 C   0  0  0  0  0
    4.0830    0.1263   -1.9801 N   0  0  0  0  0
    4.9181   -0.5877   -2.8076 C   0  0  0  0  0
    5.7467    0.3586   -3.3996 C   0  0  0  0  0
    6.7499   -0.0684   -4.2861 C   0  0  0  0  0
    6.9015   -1.4426   -4.5412 C   0  0  0  0  0
    6.0604   -2.3821   -3.9455 C   0  0  0  0  0
    5.0405   -1.9588   -3.0757 C   0  0  0  0  0
    6.1626   -3.7746   -4.1368 N   0  0  0  0  0
    7.0856   -4.4862   -4.8942 C   0  0  0  0  0
    7.9695   -3.9918   -5.5827 O   0  0  0  0  0
    6.8576   -5.8483   -4.7347 N   0  0  0  0  0
    7.5528   -6.9314   -5.3046 C   0  0  0  0  0
    8.6014   -6.8079   -6.2142 C   0  0  0  0  0
    9.2208   -7.9527   -6.7338 C   0  0  0  0  0
    8.7967   -9.2273   -6.3529 C   0  0  0  0  0
    7.7758   -9.3553   -5.4127 C   0  0  0  0  0
    7.1464   -8.2139   -4.9088 C   0  0  0  0  0
    9.4876  -10.2853   -6.8995 O   0  0  0  0  0
    8.8504  -11.4942   -7.0610 C   0  0  0  0  0
    9.5812  -12.6355   -6.7264 C   0  0  0  0  0
    9.0163  -13.9008   -6.8925 C   0  0  0  0  0
    7.7237  -14.0253   -7.4015 C   0  0  0  0  0
    7.0026  -12.8867   -7.7628 C   0  0  0  0  0
    7.5714  -11.6207   -7.6099 C   0  0  0  0  0
    5.2978    1.5943   -2.8861 C   0  0  0  0  0
    4.2921    1.4592   -2.0178 N   0  0  0  0  0
    0.4675   -1.3432    3.1635 H   0  0  0  0  0
    1.8855   -0.6374    3.9580 H   0  0  0  0  0
    1.5043   -3.3805    2.8396 H   0  0  0  0  0
    2.6131   -2.8611    4.1209 H   0  0  0  0  0
    4.2104   -2.0124    2.5283 H   0  0  0  0  0
    3.6141   -3.4769    1.7040 H   0  0  0  0  0
    2.6615    0.2517    2.0212 H   0  0  0  0  0
    1.1428   -0.2216    1.2313 H   0  0  0  0  0
    4.2800   -1.9820   -0.2642 H   0  0  0  0  0
    4.4120   -0.4734    0.6206 H   0  0  0  0  0
    2.4455    0.4316   -0.7596 H   0  0  0  0  0
    2.4377   -1.0836   -1.6752 H   0  0  0  0  0
    7.4136    0.6484   -4.7615 H   0  0  0  0  0
    7.6965   -1.7431   -5.2180 H   0  0  0  0  0
    4.3726   -2.6707   -2.6026 H   0  0  0  0  0
    5.4754   -4.3240   -3.6474 H   0  0  0  0  0
    6.1206   -6.1032   -4.0978 H   0  0  0  0  0
    8.9620   -5.8376   -6.5419 H   0  0  0  0  0
   10.0401   -7.8436   -7.4403 H   0  0  0  0  0
    7.4572  -10.3319   -5.0595 H   0  0  0  0  0
    6.3396   -8.3472   -4.1928 H   0  0  0  0  0
   10.5907  -12.5385   -6.3362 H   0  0  0  0  0
    9.5858  -14.7885   -6.6296 H   0  0  0  0  0
    7.2826  -15.0109   -7.5284 H   0  0  0  0  0
    6.0005  -12.9856   -8.1721 H   0  0  0  0  0
    7.0121  -10.7424   -7.9193 H   0  0  0  0  0
    5.6709    2.5862   -3.1047 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 33  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 32  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
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 15 16  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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 22 23  1  0  0  0
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 25 26  1  0  0  0
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 26 31  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 30 31  2  0  0  0
 30 58  1  0  0  0
 31 59  1  0  0  0
 32 33  2  0  0  0
 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL372291

>  <PubChem CID>
44402433

>  <Formula>
C26H27N5O2

>  <Molecular Weight>
441.535000

>  <IUPAC Name>
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

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

>  <InChI Key>
GIKJXFRITKLEPN-UHFFFAOYSA-N

