
 CHEMBL1256344

 84 88  0  0  0  0  0  0  0  0999 V2000
    3.2872    3.0748    4.6374 C   0  0  0  0  0
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    7.3648    1.3157   -4.5931 H   0  0  0  0  0
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    9.9551    4.4512   -8.6679 H   0  0  0  0  0
   11.2924    0.0055   -1.7993 H   0  0  0  0  0
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   11.6782    7.9261   -0.4853 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1256344

>  <PubChem CID>
11169638

>  <Formula>
C34H40N4O6

>  <Molecular Weight>
600.716000

>  <IUPAC Name>
ethyl 2-[3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC(=O)C(C)N1C(=O)C(N(C1=O)CC(CN2CCN(CC2)C3=CC=CC=C3OC)O)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CCOC(=O)C(C)N1C(=O)C(N(C1=O)CC(CN2CCN(CC2)C3=CC=CC=C3OC)O)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H40N4O6/c1-4-44-31(40)25(2)38-32(41)34(26-13-7-5-8-14-26,27-15-9-6-10-16-27)37(33(38)42)24-28(39)23-35-19-21-36(22-20-35)29-17-11-12-18-30(29)43-3/h5-18,25,28,39H,4,19-24H2,1-3H3

>  <InChI Key>
AVGWWHGGUIZHBV-UHFFFAOYSA-N

