
 CHEMBL373887

 78 82  0  0  0  0  0  0  0  0999 V2000
    6.6912   -4.1492    3.0177 C   0  0  0  0  0
    6.5943   -2.9436    2.1226 C   0  0  0  0  0
    7.4903   -1.8607    2.2410 C   0  0  0  0  0
    7.3486   -0.7455    1.3922 C   0  0  0  0  0
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    6.1087    0.3207   -0.4514 O   0  0  0  0  0
    7.1019    1.2085   -0.8078 C   0  0  0  0  0
    6.7248    2.5599   -0.9115 C   0  0  0  0  0
    7.6428    3.5001   -1.3815 C   0  0  0  0  0
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    8.3805    0.8040   -1.2003 C   0  0  0  0  0
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   10.8585    3.7201   -2.9541 O   0  0  0  0  0
    9.7750    5.4038   -1.8305 N   0  0  0  0  0
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   11.2133    8.1870   -3.9627 N   0  0  0  0  0
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    7.6639   -4.6362    2.8978 H   0  0  0  0  0
    5.9217   -4.8909    2.7776 H   0  0  0  0  0
    6.5529   -3.8585    4.0638 H   0  0  0  0  0
    8.0157    0.1034    1.5171 H   0  0  0  0  0
    4.6712   -1.7645   -0.4332 H   0  0  0  0  0
    4.8700   -3.7073    1.0562 H   0  0  0  0  0
    7.3340    4.5279   -1.5340 H   0  0  0  0  0
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    8.6637   -0.2452   -1.1838 H   0  0  0  0  0
    9.0455    5.6538   -1.1759 H   0  0  0  0  0
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    9.2977    7.4607   -3.5071 H   0  0  0  0  0
   10.3037    6.3047   -4.3679 H   0  0  0  0  0
   12.5576    6.8893   -4.9896 H   0  0  0  0  0
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   13.5954    9.6407   -4.2364 H   0  0  0  0  0
   13.9463    8.6923   -5.6903 H   0  0  0  0  0
   11.9367   10.6952   -5.3834 H   0  0  0  0  0
   12.0577    9.5744   -6.7497 H   0  0  0  0  0
    9.9225    9.5718   -4.9392 H   0  0  0  0  0
   10.4091    8.1835   -5.9374 H   0  0  0  0  0
    4.8121    2.1299   -0.2806 H   0  0  0  0  0
    3.1671    5.1024   -0.0849 H   0  0  0  0  0
    3.7516    2.0707   -2.1985 H   0  0  0  0  0
    1.9151    0.6969   -3.0167 H   0  0  0  0  0
   -0.8909    3.0401   -0.7501 H   0  0  0  0  0
    0.9432    4.4245    0.1069 H   0  0  0  0  0
   -0.8070    3.4128   -3.7816 H   0  0  0  0  0
   -2.9353    4.3759   -4.5706 H   0  0  0  0  0
   -5.0534    3.1101   -4.3048 H   0  0  0  0  0
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    8.1703   -1.9050    4.2768 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL373887

>  <PubChem CID>
11563153

>  <Formula>
C34H36N4O4

>  <Molecular Weight>
564.686000

>  <IUPAC Name>
4-(3,4-dimethylphenoxy)-3-[(4-phenoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide

>  <XlogP>
6.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C34H36N4O4/c1-24-10-14-30(22-25(24)2)42-32-17-11-26(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-27-12-15-29(16-13-27)41-28-8-4-3-5-9-28/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)

>  <InChI Key>
CDLVRUWCUTVUDT-UHFFFAOYSA-N

