
 CHEMBL282601

 78 82  0  0  0  0  0  0  0  0999 V2000
    6.7231   -0.8692   11.2405 C   0  0  0  0  0
    5.2567   -0.8129   10.8228 C   0  0  0  0  0
    5.0769   -0.0636    9.5037 C   0  0  0  0  0
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    2.2738   -3.4741    6.2167 C   0  0  0  0  0
    1.8863   -4.8074    5.7950 N   0  0  0  0  0
    1.3440   -5.8408    6.5189 C   0  0  0  0  0
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    1.1282   -2.2053   12.3471 O   0  0  0  0  0
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    5.3634    0.9852    9.6585 H   0  0  0  0  0
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    8.0319   -1.1386    8.0339 H   0  0  0  0  0
    7.7703    0.3487    8.9309 H   0  0  0  0  0
    7.4074   -2.4925    9.9970 H   0  0  0  0  0
    8.6643   -1.3470   10.4373 H   0  0  0  0  0
    5.4716   -2.7499    8.7144 H   0  0  0  0  0
    6.2029   -2.4156    7.1543 H   0  0  0  0  0
    4.1018   -1.3662    6.3508 H   0  0  0  0  0
    3.3437   -1.6461    7.9155 H   0  0  0  0  0
    3.7670   -4.1297    7.6378 H   0  0  0  0  0
    4.3945   -3.8119    6.0302 H   0  0  0  0  0
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    1.5366   -3.0850    6.9236 H   0  0  0  0  0
    2.0317   -5.0510    4.8246 H   0  0  0  0  0
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    1.4488   -4.8660   12.0023 H   0  0  0  0  0
    2.8313   -2.9856   11.3581 H   0  0  0  0  0
    1.9436   -0.9987   10.1961 H   0  0  0  0  0
    1.4579   -2.2858    9.0985 H   0  0  0  0  0
   -0.2271   -0.5144   10.5548 H   0  0  0  0  0
   -0.8155   -1.9807    9.7477 H   0  0  0  0  0
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   -1.2005   -4.0091   10.9649 H   0  0  0  0  0
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   -0.6840   -5.5301   12.9580 H   0  0  0  0  0
   -2.9677   -5.5907   12.0652 H   0  0  0  0  0
   -5.3327   -5.2536   12.6351 H   0  0  0  0  0
   -5.9663   -3.6324   14.4020 H   0  0  0  0  0
   -4.2358   -2.3678   15.5945 H   0  0  0  0  0
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   -0.5157    1.3828   14.7113 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
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  4  7  1  0  0  0
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  5  6  1  0  0  0
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  7  8  1  0  0  0
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  9 53  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL282601

>  <PubChem CID>
19813455

>  <Formula>
C30H42N2O4

>  <Molecular Weight>
494.676000

>  <IUPAC Name>
N-(4-cyclohexylbutyl)-2-[2-[[2-(3-hydroxypropyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-1,3-oxazole-4-carboxamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)C3C4CCC(C3CC5=CC=CC=C5CCCO)O4

>  <Isomeric SMILES>
C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)C3C4CCC(C3CC5=CC=CC=C5CCCO)O4

>  <InChI Std. ID>
InChI=1S/C30H42N2O4/c33-18-8-14-22-12-4-5-13-23(22)19-24-26-15-16-27(36-26)28(24)30-32-25(20-35-30)29(34)31-17-7-6-11-21-9-2-1-3-10-21/h4-5,12-13,20-21,24,26-28,33H,1-3,6-11,14-19H2,(H,31,34)

>  <InChI Key>
AESNDGLSSLLXCC-UHFFFAOYSA-N

