
 CHEMBL14417

 92 95  0  0  0  0  0  0  0  0999 V2000
    0.3479    1.8079   -1.8258 C   0  0  0  0  0
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    7.7488    8.3411    1.0516 H   0  0  0  0  0
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    7.9149   11.0041   -0.7749 H   0  0  0  0  0
    7.8225   10.9133    0.9855 H   0  0  0  0  0
    5.6805   12.1160    1.0020 H   0  0  0  0  0
    5.5987   12.0927   -0.7608 H   0  0  0  0  0
    7.6312   13.4853   -0.9239 H   0  0  0  0  0
    7.8263   13.4699    0.8300 H   0  0  0  0  0
    5.7037   14.6743    1.1394 H   0  0  0  0  0
    5.3483   14.5825   -0.5871 H   0  0  0  0  0
    7.3310   15.9587   -1.1172 H   0  0  0  0  0
    7.7911   16.0141    0.5854 H   0  0  0  0  0
    5.7381   17.2398    1.1651 H   0  0  0  0  0
    5.1242   17.0791   -0.4824 H   0  0  0  0  0
    7.0217   18.4146   -1.3587 H   0  0  0  0  0
    7.7158   18.5533    0.2412 H   0  0  0  0  0
    5.8069   19.8147    1.0733 H   0  0  0  0  0
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    8.4391   22.0961   -1.5842 H   0  0  0  0  0
    6.0445   21.8042   -6.5908 H   0  0  0  0  0
    7.9909   23.0079   -7.4872 H   0  0  0  0  0
    9.8356   23.6733   -6.0037 H   0  0  0  0  0
   11.0092   23.3378   -3.9783 H   0  0  0  0  0
   10.3442   22.5505   -2.5906 H   0  0  0  0  0
    9.0358   24.5899   -1.9754 H   0  0  0  0  0
    9.5208   25.3986   -3.4649 H   0  0  0  0  0
   11.0764   25.0222   -1.0259 H   0  0  0  0  0
   11.3872   25.5759   -4.6034 H   0  0  0  0  0
   13.1268   25.7716   -4.4097 H   0  0  0  0  0
   12.0388   27.1689   -4.1786 H   0  0  0  0  0
    4.8388   20.8063   -4.7158 H   0  0  0  0  0
    4.6471   20.2628   -2.3594 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL14417

>  <PubChem CID>
9873402

>  <Formula>
C38H48N2O4

>  <Molecular Weight>
596.812000

>  <IUPAC Name>
N-[2-[7-[10-[8-(2-acetamidoethyl)naphthalen-2-yl]oxydecoxy]naphthalen-1-yl]ethyl]acetamide

>  <XlogP>
8.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCCCCCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

>  <Isomeric SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCCCCCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

>  <InChI Std. ID>
InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)

>  <InChI Key>
CPNALNLIIHYJQS-UHFFFAOYSA-N

