
 CHEMBL567246

 61 64  0  0  0  0  0  0  0  0999 V2000
    2.1459   -0.0108   -1.7409 C   0  0  0  0  0
    2.1960   -0.1975   -0.3097 N   0  0  0  0  0
    2.2897    0.7594    0.6784 C   0  0  0  0  0
    2.4243    0.0372    1.8526 C   0  0  0  0  0
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    2.6100    4.9675    0.0696 C   0  0  0  0  0
    3.5817    4.2872    0.8091 C   0  0  0  0  0
    3.4323    2.9160    1.0112 C   0  0  0  0  0
    4.6460    5.0523    1.3203 N   0  0  0  0  0
    5.7066    4.6383    2.0762 C   0  0  0  0  0
    6.0110    3.4746    2.3191 O   0  0  0  0  0
    6.5407    5.6248    2.5368 N   0  0  0  0  0
    6.3673    7.0106    2.7108 C   0  0  0  0  0
    5.1216    7.6442    2.7610 C   0  0  0  0  0
    5.0368    9.0300    2.9346 C   0  0  0  0  0
    6.1969    9.7843    3.0856 C   0  0  0  0  0
    7.4415    9.1617    3.0787 C   0  0  0  0  0
    7.5244    7.7771    2.9011 C   0  0  0  0  0
    6.0900   11.4866    3.3013 Cl  0  0  0  0  0
    0.2749    2.1976   -0.7004 O   0  0  0  0  0
   -0.4946    2.7214   -1.7886 C   0  0  0  0  0
   -1.7866    3.3788   -1.2717 C   0  0  0  0  0
   -2.5738    4.0753   -2.3094 N   0  0  0  0  0
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   -4.1257    2.2215   -2.9999 C   0  0  0  0  0
   -5.3100    2.9299   -2.3472 C   0  0  0  0  0
   -4.8639    3.9070   -1.2614 C   0  0  0  0  0
   -3.7131    4.8049   -1.7266 C   0  0  0  0  0
   -6.0861    3.6073   -3.3357 O   0  0  0  0  0
    2.5499    0.9665   -2.0092 H   0  0  0  0  0
    1.1048   -0.1019   -2.0591 H   0  0  0  0  0
    2.7524   -0.7856   -2.2182 H   0  0  0  0  0
    2.5534    0.4403    2.8473 H   0  0  0  0  0
    2.4459   -2.1923    2.1015 H   0  0  0  0  0
    0.7522    4.8807   -0.9700 H   0  0  0  0  0
    2.6877    6.0392   -0.0966 H   0  0  0  0  0
    4.1749    2.3571    1.5749 H   0  0  0  0  0
    4.7119    6.0011    0.9836 H   0  0  0  0  0
    7.4218    5.2335    2.8521 H   0  0  0  0  0
    4.1918    7.0843    2.7254 H   0  0  0  0  0
    4.0615    9.5097    2.9707 H   0  0  0  0  0
    8.3497    9.7441    3.2109 H   0  0  0  0  0
    8.5071    7.3109    2.8934 H   0  0  0  0  0
   -0.7521    1.8539   -2.4059 H   0  0  0  0  0
    0.0880    3.3887   -2.4344 H   0  0  0  0  0
   -1.5055    4.1071   -0.5005 H   0  0  0  0  0
   -2.3791    2.6198   -0.7468 H   0  0  0  0  0
   -2.1906    2.6667   -3.8550 H   0  0  0  0  0
   -3.4035    3.8486   -4.2146 H   0  0  0  0  0
   -4.4600    1.6808   -3.8932 H   0  0  0  0  0
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   -3.3757    5.4323   -0.8919 H   0  0  0  0  0
   -5.5431    4.3050   -3.7387 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
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 13 14  1  0  0  0
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 30 31  1  0  0  0
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 31 32  1  0  0  0
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 32 59  1  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL567246

>  <PubChem CID>
45486710

>  <Formula>
C24H28ClN5O3

>  <Molecular Weight>
469.970000

>  <IUPAC Name>
1-(4-chlorophenyl)-3-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)OCCN4CCC(CC4)O

>  <Isomeric SMILES>
CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)OCCN4CCC(CC4)O

>  <InChI Std. ID>
InChI=1S/C24H28ClN5O3/c1-29-22(8-11-26-29)21-16-19(28-24(32)27-18-4-2-17(25)3-5-18)6-7-23(21)33-15-14-30-12-9-20(31)10-13-30/h2-8,11,16,20,31H,9-10,12-15H2,1H3,(H2,27,28,32)

>  <InChI Key>
AMNMOWAGJOKXAY-UHFFFAOYSA-N

