
 CHEMBL137570

 49 51  0  0  0  0  0  0  0  0999 V2000
    7.8652   -2.0304   -2.5661 C   0  0  0  0  0
    6.4865   -1.3777   -2.5019 C   0  0  0  0  0
    5.4342   -2.0819   -3.3740 C   0  0  0  0  0
    5.1605   -3.5454   -3.0060 C   0  0  0  0  0
    4.0880   -4.1562   -3.9123 C   0  0  0  0  0
    3.8037   -5.6123   -3.5447 C   0  0  0  0  0
    2.7677   -6.1013   -4.4044 O   0  0  0  0  0
    2.5111   -7.4488   -4.2246 C   0  0  0  0  0
    3.1595   -8.1254   -3.2642 N   0  0  0  0  0
    2.9306   -9.4382   -3.1564 C   0  0  0  0  0
    3.6130  -10.1111   -2.1522 C   0  0  0  0  0
    3.4828  -11.4851   -1.9612 C   0  0  0  0  0
    2.6694  -12.2152   -2.8105 C   0  0  0  0  0
    1.9739  -11.5599   -3.8291 C   0  0  0  0  0
    2.0520  -10.1529   -4.0088 C   0  0  0  0  0
    1.3287   -9.4023   -4.9895 C   0  0  0  0  0
    1.5885   -8.0224   -5.0739 C   0  0  0  0  0
    0.3198   -9.9897   -5.9146 C   0  0  0  0  0
   -0.6901  -10.8576   -5.4674 C   0  0  0  0  0
   -1.6258  -11.4111   -6.3474 C   0  0  0  0  0
   -1.6020  -11.0691   -7.6957 C   0  0  0  0  0
   -0.6400  -10.1802   -8.1614 C   0  0  0  0  0
    0.3160   -9.6553   -7.2855 C   0  0  0  0  0
    6.0209   -1.2616   -1.0676 C   0  0  0  0  0
    6.3434   -1.9704   -0.1290 O   0  0  0  0  0
    5.1513   -0.2481   -0.8891 O   0  0  0  0  0
    8.5915   -1.4472   -1.9880 H   0  0  0  0  0
    8.2234   -2.0837   -3.5992 H   0  0  0  0  0
    7.8639   -3.0423   -2.1482 H   0  0  0  0  0
    6.6097   -0.3526   -2.8776 H   0  0  0  0  0
    5.7585   -2.0334   -4.4213 H   0  0  0  0  0
    4.4916   -1.5226   -3.3142 H   0  0  0  0  0
    4.8299   -3.6124   -1.9632 H   0  0  0  0  0
    6.0796   -4.1349   -3.0951 H   0  0  0  0  0
    4.4051   -4.1041   -4.9616 H   0  0  0  0  0
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    4.2722   -9.5446   -1.4972 H   0  0  0  0  0
    4.0288  -11.9773   -1.1600 H   0  0  0  0  0
    2.5743  -13.2913   -2.6883 H   0  0  0  0  0
    1.3721  -12.1733   -4.4952 H   0  0  0  0  0
    1.0774   -7.3936   -5.7963 H   0  0  0  0  0
   -0.7649  -11.1178   -4.4111 H   0  0  0  0  0
   -2.3773  -12.1039   -5.9773 H   0  0  0  0  0
   -2.3360  -11.4881   -8.3799 H   0  0  0  0  0
   -0.6272   -9.8928   -9.2108 H   0  0  0  0  0
    1.0626   -8.9762   -7.6866 H   0  0  0  0  0
    4.9387   -0.2848    0.0672 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 24  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
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 14 15  2  0  0  0
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 19 44  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
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 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137570

>  <PubChem CID>
10247237

>  <Formula>
C22H23NO3

>  <Molecular Weight>
349.430000

>  <IUPAC Name>
2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3)C(=O)O

>  <Isomeric SMILES>
CC(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H23NO3/c1-16(22(24)25)9-7-8-14-26-21-15-19(17-10-3-2-4-11-17)18-12-5-6-13-20(18)23-21/h2-6,10-13,15-16H,7-9,14H2,1H3,(H,24,25)

>  <InChI Key>
FCBKQQQUBFIBRZ-UHFFFAOYSA-N

