
 CHEMBL1813320

 75 76  0  0  0  0  0  0  0  0999 V2000
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    1.2293    5.0386    7.0999 H   0  0  0  0  0
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    0.7027    4.7464    4.6347 H   0  0  0  0  0
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    1.5162    6.4499    3.7019 H   0  0  0  0  0
   -0.4389    8.9298    0.7944 H   0  0  0  0  0
   -2.4395    9.0180    2.2110 H   0  0  0  0  0
   -2.5401    7.8138    4.3072 H   0  0  0  0  0
    1.8925    9.6370    1.2154 H   0  0  0  0  0
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    3.9094    7.7818   -0.1331 H   0  0  0  0  0
    4.2126    8.7067    1.3190 H   0  0  0  0  0
    3.5580    9.8582   -1.4464 H   0  0  0  0  0
    5.1505    9.7935   -0.7005 H   0  0  0  0  0
    4.3028   11.2763    1.1759 H   0  0  0  0  0
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    5.4642   12.1984   -0.8356 H   0  0  0  0  0
    4.2929   13.3489   -0.1213 H   0  0  0  0  0
    6.0004   13.9392   -2.0027 H   0  0  0  0  0
    6.9340   14.7792   -4.1027 H   0  0  0  0  0
    5.7794   14.4535   -6.2095 H   0  0  0  0  0
    2.6343   12.3541   -4.1301 H   0  0  0  0  0
    1.3390   12.9628   -6.0651 H   0  0  0  0  0
    2.2951   11.4648   -6.2526 H   0  0  0  0  0
    1.7745   12.3628   -7.6659 H   0  0  0  0  0
    3.1463   13.7096   -8.6420 H   0  0  0  0  0
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    3.5399   16.1439   -8.4556 H   0  0  0  0  0
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    1.5269   15.3188   -6.4088 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813320

>  <PubChem CID>
56678563

>  <Formula>
C27H40N4O4

>  <Molecular Weight>
484.641000

>  <IUPAC Name>
N-[2-[3-[5-[3-[2-acetamidoethyl(methyl)amino]phenoxy]pentoxy]-N-methylanilino]ethyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NCCN(C)C1=CC(=CC=C1)OCCCCCOC2=CC=CC(=C2)N(C)CCNC(=O)C

>  <Isomeric SMILES>
CC(=O)NCCN(C)C1=CC(=CC=C1)OCCCCCOC2=CC=CC(=C2)N(C)CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)

>  <InChI Key>
BEXBBEIMOAMOKQ-UHFFFAOYSA-N

