
 SCHEMBL1279016

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    0.7684    2.1185    0.3121 C   0  0  0  0  0
   -0.4082    2.7615   -0.0087 C   0  0  0  0  0
    0.0106    4.0748   -0.3374 C   0  0  0  0  0
    1.3352    4.2370   -0.2487 N   0  0  0  0  0
   -1.6850    2.2174   -0.0078 N   0  0  0  0  0
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    5.1859    4.9145   -1.6096 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279016

>  <PubChem CID>
57944929

>  <Formula>
C20H20FN5O3

>  <Molecular Weight>
397.410000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CCC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CCC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H20FN5O3/c1-13-18(14(2)29-23-13)11-25-10-17(9-22-25)26-19(27)12-24(20(26)28)8-7-15-3-5-16(21)6-4-15/h3-6,9-10H,7-8,11-12H2,1-2H3

>  <InChI Key>
AUROVVWMYRRKTO-UHFFFAOYSA-N

