
 CHEMBL112054

 68 70  0  0  0  0  0  0  0  0999 V2000
    7.3694   -3.6806    1.1200 C   0  0  0  0  0
    7.1157   -2.2574    1.5908 C   0  0  0  0  0
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   11.3403    5.6811    2.8109 C   0  0  0  0  0
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   11.2905    4.1678    4.4249 N   0  0  0  0  0
    7.4381   -4.3566    1.9781 H   0  0  0  0  0
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    6.5570   -4.0315    0.4756 H   0  0  0  0  0
    7.9278   -1.9501    2.2599 H   0  0  0  0  0
    6.1875   -2.2318    2.1736 H   0  0  0  0  0
    6.2077   -1.6004   -0.2550 H   0  0  0  0  0
    7.9474   -1.3175   -0.1657 H   0  0  0  0  0
    7.5592    0.4549    1.5768 H   0  0  0  0  0
    5.8283    0.1722    1.4743 H   0  0  0  0  0
    5.8509    0.8318   -0.9571 H   0  0  0  0  0
    7.5864    1.0561   -0.8729 H   0  0  0  0  0
    5.0984    3.2206    1.5682 H   0  0  0  0  0
    4.4584    1.9382    0.5420 H   0  0  0  0  0
    4.4467    3.5137   -1.4142 H   0  0  0  0  0
    5.0141    4.8155   -0.3761 H   0  0  0  0  0
    2.9896    4.4444    1.1205 H   0  0  0  0  0
    2.3816    3.2841   -0.0552 H   0  0  0  0  0
    2.9374    6.2560   -0.5738 H   0  0  0  0  0
    1.3590    5.5334   -0.2856 H   0  0  0  0  0
    3.1597    4.9780   -2.6988 H   0  0  0  0  0
    1.6476    5.8901   -2.6782 H   0  0  0  0  0
    1.6254    4.1451   -2.3720 H   0  0  0  0  0
    9.0809    1.9591    0.5395 H   0  0  0  0  0
    9.1700    4.2771   -1.4949 H   0  0  0  0  0
    8.7119    2.6403   -1.8990 H   0  0  0  0  0
   11.8670    4.8448   -1.2645 H   0  0  0  0  0
   13.9310    3.4719   -1.5958 H   0  0  0  0  0
   14.6767    0.8018   -2.0109 H   0  0  0  0  0
   13.6918   -1.4686   -2.2583 H   0  0  0  0  0
   11.2462   -1.7937   -2.1562 H   0  0  0  0  0
    9.7322    0.1315   -1.7943 H   0  0  0  0  0
    9.6946    4.8393    0.9629 H   0  0  0  0  0
   11.1999    6.1920    1.8665 H   0  0  0  0  0
   12.5712    7.1373    3.9877 H   0  0  0  0  0
   12.4460    5.1966    5.8963 H   0  0  0  0  0
   11.0909    3.3056    4.9190 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  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 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
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  6 12  1  0  0  0
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  7 44  1  0  0  0
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  9 10  1  0  0  0
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 20 21  1  0  0  0
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 25 64  1  0  0  0
 26 28  1  0  0  0
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 28 32  1  0  0  0
 29 30  1  0  0  0
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 30 31  2  0  0  0
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 31 32  1  0  0  0
 31 67  1  0  0  0
 32 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL112054

>  <PubChem CID>
15104603

>  <Formula>
C26H36N4O2

>  <Molecular Weight>
436.600000

>  <IUPAC Name>
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide

>  <XlogP>
5.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CN3

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CN3

>  <InChI Std. ID>
InChI=1S/C26H36N4O2/c1-3-5-9-16-30(17-10-6-4-2)26(32)24(29-25(31)23-14-11-15-27-23)18-20-19-28-22-13-8-7-12-21(20)22/h7-8,11-15,19,24,27-28H,3-6,9-10,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1

>  <InChI Key>
BYRJLHZCBZABOV-XMMPIXPASA-N

