
 BDBM50142655

 86 88  0  0  0  0  0  0  0  0999 V2000
    4.5929    8.3374   -4.0395 C   0  0  0  0  0
    5.7507    8.9145   -3.2388 C   0  0  0  0  0
    5.8380    8.3697   -1.8108 C   0  0  0  0  0
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    7.6653    4.4029   -0.9278 N   0  0  0  0  0
    8.9011    4.4367   -0.3228 C   0  0  0  0  0
    9.0724    4.7592    0.8561 O   0  0  0  0  0
   10.0661    4.0189   -1.2143 C   0  0  0  0  0
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   12.6709    6.4564   -1.8516 N   0  0  0  0  0
   11.5488    5.7206   -2.3001 C   0  0  0  0  0
   11.0484    5.7109   -3.4128 O   0  0  0  0  0
   13.4184    7.3487   -2.6916 C   0  0  0  0  0
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   21.7827    0.2515   -2.7643 N   0  0  0  0  0
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   22.2049    0.4214   -5.0494 N   0  0  0  0  0
   22.7390    1.0721   -6.2197 C   0  0  0  0  0
   11.7608    4.7884    1.1251 O   0  0  0  0  0
    4.5295    8.8280   -5.0159 H   0  0  0  0  0
    3.6415    8.4898   -3.5204 H   0  0  0  0  0
    4.7220    7.2659   -4.2183 H   0  0  0  0  0
    5.6325   10.0034   -3.1896 H   0  0  0  0  0
    6.6908    8.7213   -3.7686 H   0  0  0  0  0
    4.9045    8.5867   -1.2774 H   0  0  0  0  0
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    5.4048    6.6478    0.2631 H   0  0  0  0  0
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    5.6185    4.3468   -0.7151 H   0  0  0  0  0
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   13.6783    6.8181    1.3659 H   0  0  0  0  0
   14.1904    7.7899    0.0208 H   0  0  0  0  0
   16.1598    7.1063   -1.3481 H   0  0  0  0  0
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   16.7459    3.2261    1.6733 H   0  0  0  0  0
   14.7347    4.5980    1.8490 H   0  0  0  0  0
   20.1280    4.9704   -0.9069 H   0  0  0  0  0
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   17.7774    1.5945    0.4100 H   0  0  0  0  0
   22.0793   -0.1310   -0.7287 H   0  0  0  0  0
   22.9637    1.2476   -1.3306 H   0  0  0  0  0
   20.6522   -1.3389   -2.0022 H   0  0  0  0  0
   21.2207   -1.5648   -3.6384 H   0  0  0  0  0
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   18.8585   -2.1619   -4.4554 H   0  0  0  0  0
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   17.1635   -0.3993   -5.0490 H   0  0  0  0  0
   22.1076   -0.5783   -5.0969 H   0  0  0  0  0
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   23.7424    1.4581   -6.0234 H   0  0  0  0  0
   10.7885    4.7335    1.2516 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50142655

>  <PubChem CID>
91932872

>  <Formula>
C32H45N5O4

>  <Molecular Weight>
563.743000

>  <IUPAC Name>
2-[4-[[4-[4-[[butyl(methylcarbamoyl)amino]methyl]phenyl]phenyl]methyl]-5-hydroxy-3-methyl-2-oxoimidazol-1-yl]-N-hexylacetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCCNC(=O)CN1C(=C(N(C1=O)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN(CCCC)C(=O)NC)O

>  <Isomeric SMILES>
CCCCCCNC(=O)CN1C(=C(N(C1=O)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN(CCCC)C(=O)NC)O

>  <InChI Std. ID>
InChI=1S/C32H45N5O4/c1-5-7-9-10-19-34-29(38)23-37-30(39)28(35(4)32(37)41)21-24-11-15-26(16-12-24)27-17-13-25(14-18-27)22-36(20-8-6-2)31(40)33-3/h11-18,39H,5-10,19-23H2,1-4H3,(H,33,40)(H,34,38)

>  <InChI Key>
FCLYDGDDWLGMHU-UHFFFAOYSA-N

