
 CHEMBL193583

 67 71  0  0  0  0  0  0  0  0999 V2000
    4.6940    0.7904    4.1596 C   0  0  0  0  0
    3.1933    0.7992    4.4128 C   0  0  0  0  0
    2.5820    0.5757    3.0427 C   0  0  0  0  0
    3.5131    1.2934    2.1673 N   0  0  0  0  0
    4.8512    0.9429    2.6500 C   0  0  0  0  0
    3.2882    0.9678    0.7517 C   0  0  0  0  0
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    3.8764    1.4840   -1.5953 N   0  0  0  0  0
    2.9534    2.1837   -2.3319 C   0  0  0  0  0
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    5.9418   -1.2546   -3.1324 C   0  0  0  0  0
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    4.3175   -0.2757   -4.6541 C   0  0  0  0  0
    7.0139   -2.1194   -2.8298 N   0  0  0  0  0
    7.8103   -2.8132   -3.7321 C   0  0  0  0  0
    7.7382   -2.7633   -4.9592 O   0  0  0  0  0
    8.9117   -3.6206   -3.0290 C   0  0  0  0  0
    9.2276   -4.8257   -3.8088 N   0  0  0  0  0
   10.3667   -5.5557   -3.2556 C   0  0  0  0  0
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    8.9602   -7.8755    1.7467 O   0  0  0  0  0
    9.0746   -7.2260    2.9525 C   0  0  0  0  0
    8.7657   -5.8791    3.1521 C   0  0  0  0  0
    8.8609   -5.3270    4.4322 C   0  0  0  0  0
    9.2342   -6.1265    5.5141 C   0  0  0  0  0
    9.5088   -7.4795    5.3199 C   0  0  0  0  0
    9.4246   -8.0286    4.0406 C   0  0  0  0  0
    5.1807    1.6064    4.7043 H   0  0  0  0  0
    5.1394   -0.1526    4.4955 H   0  0  0  0  0
    2.8909    1.7755    4.8116 H   0  0  0  0  0
    2.8917    0.0330    5.1332 H   0  0  0  0  0
    2.5524   -0.4970    2.8133 H   0  0  0  0  0
    1.5661    0.9788    2.9851 H   0  0  0  0  0
    5.2045   -0.0040    2.2232 H   0  0  0  0  0
    5.5804    1.7230    2.4088 H   0  0  0  0  0
    2.2408    1.1905    0.5075 H   0  0  0  0  0
    3.4256   -0.1070    0.5731 H   0  0  0  0  0
    5.2444    1.5553   -0.0430 H   0  0  0  0  0
    4.0437    2.8489   -0.0505 H   0  0  0  0  0
    2.3908    3.0002   -1.8985 H   0  0  0  0  0
    2.3057    1.9869   -4.4146 H   0  0  0  0  0
    5.9237   -0.4730   -1.1046 H   0  0  0  0  0
    5.6534   -1.8466   -5.1977 H   0  0  0  0  0
    3.8702   -0.2382   -5.6433 H   0  0  0  0  0
    7.2895   -2.1574   -1.8575 H   0  0  0  0  0
    8.5670   -3.8951   -2.0267 H   0  0  0  0  0
    9.7860   -2.9655   -2.9410 H   0  0  0  0  0
    9.4245   -4.5374   -4.7701 H   0  0  0  0  0
   11.2475   -4.9047   -3.1924 H   0  0  0  0  0
   10.6357   -6.3667   -3.9435 H   0  0  0  0  0
    8.4177   -7.3690   -2.6824 H   0  0  0  0  0
    7.8222   -8.3277   -0.4858 H   0  0  0  0  0
   11.0323   -6.1221    1.3504 H   0  0  0  0  0
   11.6094   -5.1381   -0.8276 H   0  0  0  0  0
    8.4410   -5.2546    2.3246 H   0  0  0  0  0
    8.6324   -4.2766    4.5905 H   0  0  0  0  0
    9.2982   -5.6992    6.5114 H   0  0  0  0  0
    9.7795   -8.1092    6.1631 H   0  0  0  0  0
    9.6254   -9.0861    3.8897 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
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  4  5  1  0  0  0
  4  6  1  0  0  0
  5 42  1  0  0  0
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 34 35  2  0  0  0
 34 66  1  0  0  0
 35 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL193583

>  <PubChem CID>
44402768

>  <Formula>
C29H32N4O2

>  <Molecular Weight>
468.601000

>  <IUPAC Name>
2-[(4-phenoxyphenyl)methylamino]-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C=CC3=C2C=C(C=C3)NC(=O)CNCC4=CC=C(C=C4)OC5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C1)CCN2C=CC3=C2C=C(C=C3)NC(=O)CNCC4=CC=C(C=C4)OC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H32N4O2/c34-29(22-30-21-23-8-12-27(13-9-23)35-26-6-2-1-3-7-26)31-25-11-10-24-14-17-33(28(24)20-25)19-18-32-15-4-5-16-32/h1-3,6-14,17,20,30H,4-5,15-16,18-19,21-22H2,(H,31,34)

>  <InChI Key>
JVDRAQMZKJWZBL-UHFFFAOYSA-N

