
 CHEMBL169318

 74 78  0  0  0  0  0  0  0  0999 V2000
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    2.0303   12.6002    3.6212 H   0  0  0  0  0
    0.9676   11.2809    3.1983 H   0  0  0  0  0
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    2.7740   10.5056   -2.3748 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL169318

>  <PubChem CID>
44382405

>  <Formula>
C29H33Cl2N5O5

>  <Molecular Weight>
602.513000

>  <IUPAC Name>
[(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCN(CC3)C4=NC=CC=N4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCN(CC3)C4=NC=CC=N4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H33Cl2N5O5/c1-38-24-15-20(16-25(39-2)26(24)40-3)27(37)36-18-29(41-19-36,21-5-6-22(30)23(31)17-21)7-10-34-11-13-35(14-12-34)28-32-8-4-9-33-28/h4-6,8-9,15-17H,7,10-14,18-19H2,1-3H3/t29-/m0/s1

>  <InChI Key>
GKKVDJJSVNVCKD-LJAQVGFWSA-N

