
 SCHEMBL1279616

 52 55  0  0  0  0  0  0  0  0999 V2000
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    6.1641    4.9980    2.9545 N   0  0  0  0  0
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    2.4702    2.5264    2.1409 N   0  0  0  0  0
    1.6309    1.7835    1.3529 C   0  0  0  0  0
    0.3945    2.3949    1.3891 C   0  0  0  0  0
    0.6133    3.5316    2.2059 C   0  0  0  0  0
    1.8565    3.5916    2.6936 N   0  0  0  0  0
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   -0.9223    0.7874    0.0803 C   0  0  0  0  0
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    6.6515    3.4236   -0.5177 H   0  0  0  0  0
    4.8938    3.2232   -0.6266 H   0  0  0  0  0
    5.9028    1.9135    0.0203 H   0  0  0  0  0
    5.2218    5.1313    5.3311 H   0  0  0  0  0
    4.8017    3.4132    5.3461 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279616

>  <PubChem CID>
57422428

>  <Formula>
C21H21N5O5

>  <Molecular Weight>
423.429000

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

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC=CC(=C4)C(=O)OC

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC=CC(=C4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C21H21N5O5/c1-13-18(14(2)31-23-13)11-25-10-17(8-22-25)26-19(27)12-24(21(26)29)9-15-5-4-6-16(7-15)20(28)30-3/h4-8,10H,9,11-12H2,1-3H3

>  <InChI Key>
BRVFGECVAWZHNJ-UHFFFAOYSA-N

