
 CHEMBL15139

 60 63  0  0  0  0  0  0  0  0999 V2000
    0.6660    5.3470   -3.5473 C   0  0  0  0  0
    1.6365    5.8662   -4.5140 N   0  0  0  0  0
    3.0199    5.4907   -4.1396 C   0  0  0  0  0
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    0.3769   -1.1441   -5.2266 C   0  0  0  0  0
   -0.2018   -0.1030   -4.9400 O   0  0  0  0  0
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    2.2942   -3.6311   -1.5670 C   0  0  0  0  0
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    1.3707   -5.8664   -1.4901 C   0  0  0  0  0
    3.3199   -2.7545   -1.3565 O   0  0  0  0  0
    5.6290    2.6788   -6.0557 O   0  0  0  0  0
    6.7659    2.3755   -6.8523 C   0  0  0  0  0
   -0.3543    5.6198   -3.8454 H   0  0  0  0  0
    0.8351    5.7962   -2.5640 H   0  0  0  0  0
    0.6994    4.2586   -3.4274 H   0  0  0  0  0
    3.2277    5.8196   -3.1133 H   0  0  0  0  0
    3.7022    6.0670   -4.7772 H   0  0  0  0  0
    4.4506    3.8843   -4.1017 H   0  0  0  0  0
    2.8571    3.4164   -3.4963 H   0  0  0  0  0
    1.5083    3.5715   -7.1056 H   0  0  0  0  0
    0.8738    3.3053   -5.4728 H   0  0  0  0  0
    2.0184    5.8983   -6.5788 H   0  0  0  0  0
    0.3474    5.5738   -6.1711 H   0  0  0  0  0
    6.0314   -0.0109   -6.1381 H   0  0  0  0  0
    4.2940   -1.7006   -5.9160 H   0  0  0  0  0
    1.3537    1.3671   -5.3926 H   0  0  0  0  0
    2.0400   -2.2463   -5.6345 H   0  0  0  0  0
    0.2385   -3.1858   -5.1886 H   0  0  0  0  0
   -2.1267   -3.2827   -5.4403 H   0  0  0  0  0
   -2.2199   -1.5220   -5.2728 H   0  0  0  0  0
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    1.0311   -2.0561   -2.3175 H   0  0  0  0  0
    3.3570   -5.3696   -0.8542 H   0  0  0  0  0
    1.4680   -6.9211   -1.2558 H   0  0  0  0  0
    4.0414   -3.2206   -0.9045 H   0  0  0  0  0
    7.2799    3.3154   -7.0744 H   0  0  0  0  0
    6.4829    1.9170   -7.8064 H   0  0  0  0  0
    7.4656    1.7383   -6.3026 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
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 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL15139

>  <PubChem CID>
10764757

>  <Formula>
C23H29N5O3

>  <Molecular Weight>
423.517000

>  <IUPAC Name>
1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NCCC3=CNC4=C3C=C(C=C4)O)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)NCCC3=CNC4=C3C=C(C=C4)O)OC

>  <InChI Std. ID>
InChI=1S/C23H29N5O3/c1-27-9-11-28(12-10-27)21-13-17(3-6-22(21)31-2)26-23(30)24-8-7-16-15-25-20-5-4-18(29)14-19(16)20/h3-6,13-15,25,29H,7-12H2,1-2H3,(H2,24,26,30)

>  <InChI Key>
FHMGXDNSPPUJTF-UHFFFAOYSA-N

