
 CHEMBL375208

 61 65  0  0  0  0  0  0  0  0999 V2000
   -1.0419    0.4995    2.5156 C   0  0  0  0  0
   -0.0285    1.5818    2.7612 C   0  0  0  0  0
    0.4244    0.2185    2.3003 C   0  0  0  0  0
    0.9478    0.0137    0.9095 C   0  0  0  0  0
    2.3941   -0.1783    0.8985 N   0  0  0  0  0
    3.3066    0.8390    0.7775 C   0  0  0  0  0
    4.5785    0.2983    0.7537 C   0  0  0  0  0
    4.4117   -1.1226    0.9068 C   0  0  0  0  0
    5.3136   -2.2070    0.9793 C   0  0  0  0  0
    4.8280   -3.5105    1.1267 C   0  0  0  0  0
    3.4608   -3.7493    1.2031 C   0  0  0  0  0
    2.5445   -2.6966    1.1373 C   0  0  0  0  0
    3.0425   -1.3910    0.9891 C   0  0  0  0  0
    5.9055    1.0121    0.6000 C   0  0  0  0  0
    5.9030    2.1209   -0.4625 C   0  0  0  0  0
    5.4408    3.4814    0.0654 C   0  0  0  0  0
    6.1020    3.9117    1.3072 N   0  0  0  0  0
    5.9378    2.8798    2.3408 C   0  0  0  0  0
    6.4715    1.5056    1.9385 C   0  0  0  0  0
    7.5103    4.3051    1.1111 C   0  0  0  0  0
    7.6411    5.6747    0.4180 C   0  0  0  0  0
    9.0000    5.9786    0.0728 O   0  0  0  0  0
    9.4416    5.4094   -1.0929 C   0  0  0  0  0
   10.5906    4.6198   -0.9474 C   0  0  0  0  0
   11.1545    3.9669   -2.0454 C   0  0  0  0  0
   10.5775    4.1007   -3.3043 C   0  0  0  0  0
    9.4537    4.9107   -3.4677 C   0  0  0  0  0
    8.8952    5.5937   -2.3715 C   0  0  0  0  0
    7.7692    6.4985   -2.6919 C   0  0  0  0  0
    6.9344    6.3050   -3.5591 O   0  0  0  0  0
    7.7903    7.6317   -1.9786 O   0  0  0  0  0
   -1.5211    0.0486    3.3780 H   0  0  0  0  0
   -1.6889    0.5942    1.6509 H   0  0  0  0  0
    0.1791    1.8627    3.7879 H   0  0  0  0  0
    0.0049    2.4113    2.0637 H   0  0  0  0  0
    0.9028   -0.4338    3.0240 H   0  0  0  0  0
    0.7258    0.8674    0.2581 H   0  0  0  0  0
    0.4886   -0.8689    0.4519 H   0  0  0  0  0
    2.9641    1.8618    0.7097 H   0  0  0  0  0
    6.3841   -2.0361    0.9229 H   0  0  0  0  0
    5.5269   -4.3408    1.1818 H   0  0  0  0  0
    3.0976   -4.7680    1.3170 H   0  0  0  0  0
    1.4801   -2.8949    1.2026 H   0  0  0  0  0
    6.6058    0.2506    0.2276 H   0  0  0  0  0
    5.2849    1.8338   -1.3222 H   0  0  0  0  0
    6.9238    2.2278   -0.8522 H   0  0  0  0  0
    5.5645    4.2270   -0.7269 H   0  0  0  0  0
    4.3615    3.4652    0.2464 H   0  0  0  0  0
    6.4222    3.2033    3.2707 H   0  0  0  0  0
    4.8718    2.7992    2.5890 H   0  0  0  0  0
    7.5650    1.5605    1.8596 H   0  0  0  0  0
    6.2611    0.7858    2.7396 H   0  0  0  0  0
    8.0769    3.5410    0.5680 H   0  0  0  0  0
    8.0119    4.3980    2.0838 H   0  0  0  0  0
    7.3158    6.4551    1.1172 H   0  0  0  0  0
    6.9790    5.7532   -0.4444 H   0  0  0  0  0
   11.0474    4.5094    0.0340 H   0  0  0  0  0
   12.0446    3.3551   -1.9156 H   0  0  0  0  0
   11.0113    3.5921   -4.1621 H   0  0  0  0  0
    9.0249    5.0313   -4.4615 H   0  0  0  0  0
    7.0278    8.1475   -2.3108 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  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 13  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
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 15 46  1  0  0  0
 16 17  1  0  0  0
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 17 18  1  0  0  0
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 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 21 22  1  0  0  0
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 21 56  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 58  1  0  0  0
 26 27  1  0  0  0
 26 59  1  0  0  0
 27 28  2  0  0  0
 27 60  1  0  0  0
 28 29  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL375208

>  <PubChem CID>
9823337

>  <Formula>
C26H30N2O3

>  <Molecular Weight>
418.537000

>  <IUPAC Name>
2-[2-[4-[1-(cyclopropylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

>  <Isomeric SMILES>
C1CC1CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H30N2O3/c29-26(30)22-6-2-4-8-25(22)31-16-15-27-13-11-20(12-14-27)23-18-28(17-19-9-10-19)24-7-3-1-5-21(23)24/h1-8,18-20H,9-17H2,(H,29,30)

>  <InChI Key>
VBXUDFDAMGGOQA-UHFFFAOYSA-N

