
 CHEMBL1094160

 70 72  0  0  0  0  0  0  0  0999 V2000
    2.0800    0.3851   -3.8623 C   0  0  0  0  0
    3.3237   -0.3056   -3.3858 C   0  0  0  0  0
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    8.0614   -6.5781    1.6454 C   0  0  0  0  0
    8.9370   -7.2156    1.0856 O   0  0  0  0  0
    8.3525   -5.8262    2.7265 O   0  0  0  0  0
    6.8768   -0.9315   -4.5924 C   0  0  0  0  0
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    2.0385    1.4006   -3.4561 H   0  0  0  0  0
    4.4699    0.1796   -5.1499 H   0  0  0  0  0
    6.5727   -2.0102   -2.1118 H   0  0  0  0  0
    2.4531   -0.9046   -1.5152 H   0  0  0  0  0
    5.6643   -2.2535    0.0192 H   0  0  0  0  0
    3.9818   -2.0185    1.7899 H   0  0  0  0  0
    2.7913   -1.4247    0.6625 H   0  0  0  0  0
    4.2368    0.6076    0.2228 H   0  0  0  0  0
    3.5243    0.1148    3.1568 H   0  0  0  0  0
    2.4039    0.6486    1.8906 H   0  0  0  0  0
    3.7439    1.6929    2.3798 H   0  0  0  0  0
    5.9795   -0.5531    2.4604 H   0  0  0  0  0
    6.0918    1.0981    1.8288 H   0  0  0  0  0
    6.4767   -0.2661    0.7822 H   0  0  0  0  0
    3.1235   -3.6882   -0.1461 H   0  0  0  0  0
    4.6532   -9.2614   -0.2308 H   0  0  0  0  0
    2.2891   -9.3217   -0.8408 H   0  0  0  0  0
    2.3465   -5.0850   -1.5546 H   0  0  0  0  0
    0.4972   -6.6168   -2.4662 H   0  0  0  0  0
    0.2140   -6.6047   -0.6821 H   0  0  0  0  0
   -4.2748   -6.8791   -1.6616 H   0  0  0  0  0
   -3.4612  -10.8965   -2.9160 H   0  0  0  0  0
   -1.0358  -10.5528   -2.4684 H   0  0  0  0  0
    6.9588   -6.6951   -0.8322 H   0  0  0  0  0
    6.6759   -8.2079   -0.0418 H   0  0  0  0  0
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    6.2631   -5.5062    1.3531 H   0  0  0  0  0
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    7.7022   -1.4709   -4.1159 H   0  0  0  0  0
    7.2127    0.0916   -4.7883 H   0  0  0  0  0
    6.6585   -1.4283   -5.5432 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
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 28 61  1  0  0  0
 29 62  1  0  0  0
 32 33  1  0  0  0
 32 63  1  0  0  0
 32 64  1  0  0  0
 33 34  1  0  0  0
 33 65  1  0  0  0
 33 66  1  0  0  0
 34 36  1  0  0  0
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 37 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1094160

>  <PubChem CID>
46887092

>  <Formula>
C30H33F2NO4

>  <Molecular Weight>
509.594000

>  <IUPAC Name>
3-[4-[(2,4-difluorophenoxy)methyl]-2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=C(C=C(C=C3)F)F)CCC(=O)O)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)[C@@H](CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=C(C=C(C=C3)F)F)CCC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-9-8-24(31)16-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1

>  <InChI Key>
ANXDYLMRCATVOP-HHHXNRCGSA-N

