
 SCHEMBL1279076

 49 52  0  0  0  0  0  0  0  0999 V2000
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    4.5715    4.6235   -1.2831 O   0  0  0  0  0
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    2.9994    3.8848    1.9645 C   0  0  0  0  0
    1.5516    3.9551    1.8077 N   0  0  0  0  0
    0.7356    2.9525    1.3666 C   0  0  0  0  0
   -0.5300    3.4823    1.2648 C   0  0  0  0  0
   -0.3783    4.8041    1.7517 C   0  0  0  0  0
    0.8834    5.0890    2.0979 N   0  0  0  0  0
   -1.6554    2.8461    0.7616 N   0  0  0  0  0
   -1.7048    1.5314    0.3598 C   0  0  0  0  0
   -0.8369    0.6714    0.4550 O   0  0  0  0  0
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    4.3158    7.0414   -0.7191 H   0  0  0  0  0
    4.0673    6.8022    1.0161 H   0  0  0  0  0
    2.6885    6.7138   -0.0985 H   0  0  0  0  0
    4.7407    0.8034   -0.5313 H   0  0  0  0  0
    3.0861    0.9972    0.0665 H   0  0  0  0  0
    4.4623    1.1799    1.1744 H   0  0  0  0  0
    3.3134    4.7270    2.5905 H   0  0  0  0  0
    3.2184    2.9613    2.5105 H   0  0  0  0  0
    1.1331    1.9798    1.1127 H   0  0  0  0  0
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   -2.8668    0.0457   -4.1954 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279076

>  <PubChem CID>
57944924

>  <Formula>
C18H23N5O3

>  <Molecular Weight>
357.414000

>  <IUPAC Name>
5-(cyclopentylmethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(NC3=O)CC4CCCC4

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(NC3=O)CC4CCCC4

>  <InChI Std. ID>
InChI=1S/C18H23N5O3/c1-11-15(12(2)26-21-11)10-22-9-14(8-19-22)23-17(24)16(20-18(23)25)7-13-5-3-4-6-13/h8-9,13,16H,3-7,10H2,1-2H3,(H,20,25)

>  <InChI Key>
FGYCDDXDLONVOO-UHFFFAOYSA-N

