
 CHEMBL3893992

 56 59  0  0  0  0  0  0  0  0999 V2000
    2.7121   -3.3973   -2.2638 C   0  0  0  0  0
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    7.9313   -2.3826   -2.8175 C   0  0  0  0  0
    6.7136   -2.4103   -2.2546 F   0  0  0  0  0
   10.7025   -0.1425   -3.5038 F   0  0  0  0  0
    1.8329   -3.7978   -2.7568 H   0  0  0  0  0
    3.5232   -4.1081   -2.1577 H   0  0  0  0  0
    2.4217   -1.3861   -3.1776 H   0  0  0  0  0
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    4.8204    1.2377    0.3177 H   0  0  0  0  0
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    7.7641   -4.4385   -3.4133 H   0  0  0  0  0
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  1 34  1  0  0  0
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  6 17  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3893992

>  <PubChem CID>
117902877

>  <Formula>
C26H23F2NO4

>  <Molecular Weight>
451.470000

>  <IUPAC Name>
4-[[2-cyclopropylethyl-[4-(2,6-difluorophenoxy)benzoyl]amino]methyl]benzoic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CCN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4F)F

>  <Isomeric SMILES>
C1CC1CCN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4F)F

>  <InChI Std. ID>
InChI=1S/C26H23F2NO4/c27-22-2-1-3-23(28)24(22)33-21-12-10-19(11-13-21)25(30)29(15-14-17-4-5-17)16-18-6-8-20(9-7-18)26(31)32/h1-3,6-13,17H,4-5,14-16H2,(H,31,32)

>  <InChI Key>
GUCWMYPGSTXNQO-UHFFFAOYSA-N

