
 CHEMBL1813319

 72 73  0  0  0  0  0  0  0  0999 V2000
   11.5940    5.6205    2.8734 C   0  0  0  0  0
   11.2841    4.1931    2.5123 C   0  0  0  0  0
   12.1499    3.4023    2.1534 O   0  0  0  0  0
    9.9521    3.8694    2.6182 N   0  0  0  0  0
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    6.7379    3.0575    0.7759 C   0  0  0  0  0
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    1.1639    8.0838    0.6955 O   0  0  0  0  0
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    0.7133    5.0109   -1.3275 C   0  0  0  0  0
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   -3.3628    4.8003    3.7281 O   0  0  0  0  0
   -2.2123    2.7874    3.1267 C   0  0  0  0  0
   10.8087    6.0503    3.5022 H   0  0  0  0  0
   11.6896    6.2113    1.9595 H   0  0  0  0  0
   12.5320    5.6520    3.4353 H   0  0  0  0  0
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    8.8210    1.4346    0.5025 H   0  0  0  0  0
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    6.6378    1.9806    0.9516 H   0  0  0  0  0
    5.9746    3.3231    0.0366 H   0  0  0  0  0
    6.5228    3.5670    1.7221 H   0  0  0  0  0
    6.4712    5.5342    0.4068 H   0  0  0  0  0
    9.1506    8.3025   -1.4642 H   0  0  0  0  0
   10.8267    6.4937   -1.7114 H   0  0  0  0  0
   10.3485    4.2470   -0.9402 H   0  0  0  0  0
    5.2410    7.2459    0.5677 H   0  0  0  0  0
    5.1473    7.1949   -1.2254 H   0  0  0  0  0
    5.0005    9.7271   -1.1866 H   0  0  0  0  0
    4.9606    9.6810    0.5599 H   0  0  0  0  0
    2.8923    8.4181   -1.3214 H   0  0  0  0  0
    2.6913    9.9203   -0.4626 H   0  0  0  0  0
    2.7685    8.8024    1.7139 H   0  0  0  0  0
    3.0480    7.2288    1.0104 H   0  0  0  0  0
    2.4573    6.0786   -0.7422 H   0  0  0  0  0
    1.2777    4.2660   -1.8811 H   0  0  0  0  0
   -1.1767    4.1052   -1.7819 H   0  0  0  0  0
   -1.2933    7.6868    0.6023 H   0  0  0  0  0
   -3.0404    5.4418   -2.6429 H   0  0  0  0  0
   -3.3352    7.1027   -2.0683 H   0  0  0  0  0
   -4.5314    5.8235   -1.7928 H   0  0  0  0  0
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   -2.9032    6.4991    1.4684 H   0  0  0  0  0
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   -5.1035    5.4616    1.9995 H   0  0  0  0  0
   -3.2269    3.4426    0.8967 H   0  0  0  0  0
   -2.4267    1.9507    2.4553 H   0  0  0  0  0
   -2.3351    2.4368    4.1551 H   0  0  0  0  0
   -1.1826    3.1203    2.9720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
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  4  5  1  0  0  0
  4 38  1  0  0  0
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  9 10  2  0  0  0
  9 14  1  0  0  0
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 29 30  1  0  0  0
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 34 70  1  0  0  0
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 34 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1813319

>  <PubChem CID>
56661512

>  <Formula>
C26H38N4O4

>  <Molecular Weight>
470.614000

>  <IUPAC Name>
N-[2-[3-[4-[3-[2-acetamidoethyl(methyl)amino]phenoxy]butoxy]-N-methylanilino]ethyl]acetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NCCN(C)C1=CC(=CC=C1)OCCCCOC2=CC=CC(=C2)N(C)CCNC(=O)C

>  <Isomeric SMILES>
CC(=O)NCCN(C)C1=CC(=CC=C1)OCCCCOC2=CC=CC(=C2)N(C)CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)

>  <InChI Key>
CMUDCZPLZLQTPX-UHFFFAOYSA-N

