
 CHEMBL384247

 66 69  0  0  0  0  0  0  0  0999 V2000
    7.6588   -4.7068    2.4461 C   0  0  0  0  0
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    6.7532   -5.2689    2.6941 H   0  0  0  0  0
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    8.5035   -2.2785    3.3188 H   0  0  0  0  0
    7.7926    4.5731   -0.8997 H   0  0  0  0  0
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    9.0985   -0.1758   -0.2538 H   0  0  0  0  0
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   12.2870    2.8705   -3.7869 H   0  0  0  0  0
   10.6255    4.2734   -4.9381 H   0  0  0  0  0
    9.2877    3.4867   -4.1113 H   0  0  0  0  0
    8.6965    1.1984   -4.6591 H   0  0  0  0  0
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    3.6285    9.9415   -1.6513 H   0  0  0  0  0
    2.3963    8.4270   -0.1199 H   0  0  0  0  0
    3.2914    6.2010    0.4166 H   0  0  0  0  0
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    5.0551   -4.8602    0.8271 H   0  0  0  0  0
    6.5335   -5.2060   -0.1167 H   0  0  0  0  0
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  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
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  2  7  1  0  0  0
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  4  5  2  0  0  0
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 31 32  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL384247

>  <PubChem CID>
44416923

>  <Formula>
C28H31N3O4

>  <Molecular Weight>
473.573000

>  <IUPAC Name>
phenyl N-[2-(3,4-dimethylphenoxy)-5-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]carbamate

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)OC4=CC=CC=C4)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)OC4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C28H31N3O4/c1-20-10-12-24(18-21(20)2)34-26-13-11-22(27(32)29-14-17-31-15-6-7-16-31)19-25(26)30-28(33)35-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,32)(H,30,33)

>  <InChI Key>
QAGQATKSRHKVBL-UHFFFAOYSA-N

