
 CHEMBL214177

 61 63  0  0  0  0  0  0  0  0999 V2000
    1.9955   -0.2704   -2.8996 C   0  0  0  0  0
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    8.7275    7.0362   -4.5530 N   0  0  0  0  0
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    5.9937    2.3906    4.7730 C   0  0  0  0  0
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    1.3481    0.4929   -3.3446 H   0  0  0  0  0
    3.1603   -0.5810   -1.1168 H   0  0  0  0  0
    1.7358    0.4541   -0.9002 H   0  0  0  0  0
    2.8479    2.0188    0.1186 H   0  0  0  0  0
    4.1473    6.2771    1.3163 H   0  0  0  0  0
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    5.9414    2.8028   -1.7669 H   0  0  0  0  0
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   10.1313    5.8075   -1.6389 H   0  0  0  0  0
    9.6360    7.4770   -1.9524 H   0  0  0  0  0
    9.3733    5.1103   -3.9126 H   0  0  0  0  0
   10.6098    6.3615   -3.9286 H   0  0  0  0  0
    9.2373    5.8426   -6.2474 H   0  0  0  0  0
   10.0753    7.4138   -6.1652 H   0  0  0  0  0
    8.0885    8.6185   -6.7342 H   0  0  0  0  0
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    1.4048    1.3324    4.6432 H   0  0  0  0  0
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    6.2743    1.3630    5.0232 H   0  0  0  0  0
    6.0538    3.0166    5.6685 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  2 35  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
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 11 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL214177

>  <PubChem CID>
11517116

>  <Formula>
C24H31N3O3

>  <Molecular Weight>
409.530000

>  <IUPAC Name>
4-(3,4-dimethylphenoxy)-3-(propanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCCC2)OC3=CC(=C(C=C3)C)C

>  <Isomeric SMILES>
CCC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCCC2)OC3=CC(=C(C=C3)C)C

>  <InChI Std. ID>
InChI=1S/C24H31N3O3/c1-4-23(28)26-21-16-19(24(29)25-11-14-27-12-5-6-13-27)8-10-22(21)30-20-9-7-17(2)18(3)15-20/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,29)(H,26,28)

>  <InChI Key>
GBYGZYDTFFMMED-UHFFFAOYSA-N

