
 CHEMBL197210

 66 70  0  0  0  0  0  0  0  0999 V2000
    3.2559    5.1337   -5.2477 C   0  0  0  0  0
    4.6646    5.6829   -5.4036 C   0  0  0  0  0
    5.4830    4.7950   -4.4839 C   0  0  0  0  0
    4.5953    4.6616   -3.2421 C   0  0  0  0  0
    3.1588    4.6660   -3.7952 C   0  0  0  0  0
    4.8443    3.4478   -2.4628 N   0  0  0  0  0
    6.1609    3.4602   -1.8208 C   0  0  0  0  0
    6.4048    2.1792   -1.0137 C   0  0  0  0  0
    6.2166    0.8622   -1.7724 C   0  0  0  0  0
    7.1996    0.5927   -2.8065 N   0  0  0  0  0
    8.0048   -0.5205   -2.9049 C   0  0  0  0  0
    8.6935   -0.3747   -4.1075 C   0  0  0  0  0
    9.6132   -1.3634   -4.5075 C   0  0  0  0  0
    9.7778   -2.4966   -3.6988 C   0  0  0  0  0
    9.0409   -2.6415   -2.5217 C   0  0  0  0  0
    8.1701   -1.6412   -2.0824 C   0  0  0  0  0
   10.6191   -3.5568   -4.0596 N   0  0  0  0  0
   11.8776   -3.5538   -4.6043 C   0  0  0  0  0
   12.3455   -4.6333   -4.9556 O   0  0  0  0  0
   12.5427   -2.3557   -4.5623 N   0  0  0  0  0
   13.9155   -2.1262   -4.7834 C   0  0  0  0  0
   14.8137   -3.1089   -5.2023 C   0  0  0  0  0
   16.1768   -2.8181   -5.3179 C   0  0  0  0  0
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   15.7581   -0.5391   -4.6586 C   0  0  0  0  0
   14.3973   -0.8355   -4.5261 C   0  0  0  0  0
   18.0063   -1.3537   -5.1830 O   0  0  0  0  0
   18.6897   -0.5174   -4.3309 C   0  0  0  0  0
   18.4224   -0.3897   -2.9654 C   0  0  0  0  0
   19.1946    0.4717   -2.1822 C   0  0  0  0  0
   20.2546    1.1764   -2.7536 C   0  0  0  0  0
   20.5490    1.0165   -4.1069 C   0  0  0  0  0
   19.7689    0.1680   -4.8931 C   0  0  0  0  0
    8.1978    0.8280   -4.6540 C   0  0  0  0  0
    7.2767    1.4054   -3.8819 N   0  0  0  0  0
    2.4919    5.8758   -5.4974 H   0  0  0  0  0
    3.1164    4.2755   -5.9164 H   0  0  0  0  0
    4.7071    6.7248   -5.0660 H   0  0  0  0  0
    5.0136    5.6411   -6.4391 H   0  0  0  0  0
    5.6494    3.8212   -4.9618 H   0  0  0  0  0
    6.4601    5.2311   -4.2541 H   0  0  0  0  0
    4.7157    5.5467   -2.6037 H   0  0  0  0  0
    2.6810    3.6797   -3.7548 H   0  0  0  0  0
    2.5317    5.3452   -3.2060 H   0  0  0  0  0
    4.8212    2.6668   -3.1227 H   0  0  0  0  0
    6.2199    4.3097   -1.1293 H   0  0  0  0  0
    6.9635    3.5930   -2.5523 H   0  0  0  0  0
    5.7165    2.1748   -0.1581 H   0  0  0  0  0
    7.4190    2.2180   -0.5963 H   0  0  0  0  0
    5.2305    0.7882   -2.2429 H   0  0  0  0  0
    6.2673    0.0456   -1.0448 H   0  0  0  0  0
   10.1168   -1.2765   -5.4663 H   0  0  0  0  0
    9.1681   -3.5270   -1.9005 H   0  0  0  0  0
    7.6342   -1.7550   -1.1466 H   0  0  0  0  0
   10.3621   -4.4865   -3.7506 H   0  0  0  0  0
   12.0331   -1.5861   -4.1564 H   0  0  0  0  0
   14.4916   -4.1185   -5.4364 H   0  0  0  0  0
   16.8651   -3.5967   -5.6367 H   0  0  0  0  0
   16.1025    0.4739   -4.4718 H   0  0  0  0  0
   13.7235   -0.0429   -4.2107 H   0  0  0  0  0
   17.6219   -0.9554   -2.4980 H   0  0  0  0  0
   18.9754    0.5856   -1.1234 H   0  0  0  0  0
   20.8594    1.8405   -2.1412 H   0  0  0  0  0
   21.3869    1.5483   -4.5498 H   0  0  0  0  0
   20.0033    0.0372   -5.9466 H   0  0  0  0  0
    8.4580    1.2952   -5.5957 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 42  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  7  8  1  0  0  0
  7 46  1  0  0  0
  7 47  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9 10  1  0  0  0
  9 50  1  0  0  0
  9 51  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 34  1  0  0  0
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 15 16  2  0  0  0
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 16 54  1  0  0  0
 17 18  1  0  0  0
 17 55  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  2  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
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 25 59  1  0  0  0
 26 60  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 30 31  2  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 32 33  2  0  0  0
 32 64  1  0  0  0
 33 65  1  0  0  0
 34 35  2  0  0  0
 34 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL197210

>  <PubChem CID>
44402329

>  <Formula>
C28H31N5O2

>  <Molecular Weight>
469.589000

>  <IUPAC Name>
1-[1-[3-(cyclopentylamino)propyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)NCCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CCC(C1)NCCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C28H31N5O2/c34-28(31-23-11-14-26(15-12-23)35-25-9-2-1-3-10-25)32-24-13-16-27-21(19-24)20-30-33(27)18-6-17-29-22-7-4-5-8-22/h1-3,9-16,19-20,22,29H,4-8,17-18H2,(H2,31,32,34)

>  <InChI Key>
DFSPHRXFDNSOGP-UHFFFAOYSA-N

