
 CHEMBL166033

 98 99  0  0  0  0  0  0  0  0999 V2000
   -4.1478    8.2402   13.2910 C   0  0  0  0  0
   -3.2160    7.1871   13.8951 C   0  0  0  0  0
   -4.0436    6.0289   14.4561 C   0  0  0  0  0
   -2.2626    6.7771   12.8496 N   0  0  0  0  0
   -1.2875    5.7908   13.3268 C   0  0  0  0  0
   -0.1479    5.4860   12.3335 C   0  0  0  0  0
    0.7891    6.6868   12.1435 C   0  0  0  0  0
    1.8302    6.3753   11.2087 O   0  0  0  0  0
    1.6710    6.7066    9.8932 C   0  0  0  0  0
    2.7401    6.3534    9.0724 C   0  0  0  0  0
    2.7031    6.6078    7.6954 C   0  0  0  0  0
    1.5987    7.2318    7.0991 C   0  0  0  0  0
    0.5487    7.6121    7.9307 C   0  0  0  0  0
    0.5764    7.3396    9.3132 C   0  0  0  0  0
    1.6567    7.3750    5.7005 N   0  0  0  0  0
    0.8463    7.8792    4.7261 C   0  0  0  0  0
    1.2183    7.7461    3.5606 O   0  0  0  0  0
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   -0.9876   12.2828    6.2028 C   0  0  0  0  0
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   -1.7326   14.5094    7.0949 C   0  0  0  0  0
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   -2.3315   16.7390    8.1090 C   0  0  0  0  0
   -2.7783   17.4194    9.3759 C   0  0  0  0  0
   -3.8307   18.0764    9.3761 O   0  0  0  0  0
   -2.1186   17.3112   10.5604 N   0  0  0  0  0
   -0.8912   16.7669   10.9780 C   0  0  0  0  0
    0.1214   16.2922   10.1514 C   0  0  0  0  0
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    1.5347   15.7993   12.0758 C   0  0  0  0  0
    0.5253   16.2593   12.9114 C   0  0  0  0  0
   -0.6699   16.7462   12.3633 C   0  0  0  0  0
    2.7678   15.3574   12.4544 O   0  0  0  0  0
    2.9796   14.9774   13.8139 C   0  0  0  0  0
    2.6255   13.5046   14.0364 C   0  0  0  0  0
    3.4867   12.5894   13.1398 C   0  0  0  0  0
    3.2832   11.1796   13.5278 N   0  0  0  0  0
    4.0827   10.2594   12.6997 C   0  0  0  0  0
    5.5799   10.3544   12.9941 C   0  0  0  0  0
    3.5999    8.8372   12.9770 C   0  0  0  0  0
    2.8433   13.1601   15.4104 O   0  0  0  0  0
    0.5892    4.3753   12.8790 O   0  0  0  0  0
   -3.5825    9.1018   12.9184 H   0  0  0  0  0
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   -4.5525    5.4767   13.6588 H   0  0  0  0  0
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    1.2998    6.8669   13.0967 H   0  0  0  0  0
    0.2753    7.6192   11.8963 H   0  0  0  0  0
    3.6098    5.8598    9.5002 H   0  0  0  0  0
    3.5560    6.2957    7.0959 H   0  0  0  0  0
   -0.3340    8.1144    7.5662 H   0  0  0  0  0
   -0.2933    7.6325    9.8915 H   0  0  0  0  0
    2.4776    6.9730    5.2594 H   0  0  0  0  0
   -1.0411    8.0972    5.7422 H   0  0  0  0  0
   -1.0276    8.6415    4.0995 H   0  0  0  0  0
    0.2161   10.6149    4.5153 H   0  0  0  0  0
    0.7423   10.1056    6.1073 H   0  0  0  0  0
   -1.5077   10.3466    7.0292 H   0  0  0  0  0
   -2.1934   10.6662    5.4332 H   0  0  0  0  0
   -0.9653   12.7471    5.2091 H   0  0  0  0  0
    0.0118   12.4108    6.6375 H   0  0  0  0  0
   -1.9385   12.6043    8.1079 H   0  0  0  0  0
   -3.0225   12.8149    6.7298 H   0  0  0  0  0
   -1.9803   14.9261    6.1110 H   0  0  0  0  0
   -0.6638   14.6916    7.2603 H   0  0  0  0  0
   -2.2432   14.8334    9.1612 H   0  0  0  0  0
   -3.6009   15.0031    8.0673 H   0  0  0  0  0
   -2.9392   17.1346    7.2837 H   0  0  0  0  0
   -1.3109   17.0397    7.8654 H   0  0  0  0  0
   -2.6640   17.7607   11.2878 H   0  0  0  0  0
    0.0552   16.2955    9.0748 H   0  0  0  0  0
    2.1111   15.4746   10.0297 H   0  0  0  0  0
    0.6298   16.2865   13.9901 H   0  0  0  0  0
   -1.4307   17.1153   13.0488 H   0  0  0  0  0
    2.4862   15.6331   14.5378 H   0  0  0  0  0
    4.0491   15.1180   14.0164 H   0  0  0  0  0
    1.5655   13.3313   13.8168 H   0  0  0  0  0
    4.5381   12.8558   13.2869 H   0  0  0  0  0
    3.2283   12.7410   12.0858 H   0  0  0  0  0
    2.2940   10.9564   13.3989 H   0  0  0  0  0
    3.9068   10.4689   11.6371 H   0  0  0  0  0
    5.7868   10.2208   14.0617 H   0  0  0  0  0
    5.9932   11.3188   12.6841 H   0  0  0  0  0
    6.1295    9.5798   12.4477 H   0  0  0  0  0
    3.7515    8.5517   14.0241 H   0  0  0  0  0
    4.1307    8.1141   12.3483 H   0  0  0  0  0
    2.5335    8.7532   12.7528 H   0  0  0  0  0
    3.0604   12.2037   15.3944 H   0  0  0  0  0
    1.5391    4.5732   12.7942 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL166033

>  <PubChem CID>
13755659

>  <Formula>
C34H54N4O6

>  <Molecular Weight>
614.828000

>  <IUPAC Name>
N,N'-bis[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]decanediamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C34H54N4O6/c1-25(2)35-21-29(39)23-43-31-17-13-27(14-18-31)37-33(41)11-9-7-5-6-8-10-12-34(42)38-28-15-19-32(20-16-28)44-24-30(40)22-36-26(3)4/h13-20,25-26,29-30,35-36,39-40H,5-12,21-24H2,1-4H3,(H,37,41)(H,38,42)

>  <InChI Key>
KPTXIXFKQCUERL-UHFFFAOYSA-N

