
 CHEMBL369246

 87 91  0  0  0  0  0  0  0  0999 V2000
    2.0364    2.9912   -0.5619 C   0  0  0  0  0
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   11.0654   -0.0410   -2.6563 H   0  0  0  0  0
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    4.3569    7.9523    2.3377 H   0  0  0  0  0
    5.9847    6.1000    2.0934 H   0  0  0  0  0
    5.9135    4.6235    0.1579 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL369246

>  <PubChem CID>
44382094

>  <Formula>
C35H41F2N3O6

>  <Molecular Weight>
637.725000

>  <IUPAC Name>
1-[2-[(5R)-5-(3,4-difluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-N,N-dimethyl-4-phenylpiperidine-4-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)C(=O)C1(CCN(CC1)CCC2(CN(CO2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(C)C(=O)C1(CCN(CC1)CC[C@]2(CN(CO2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C35H41F2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1

>  <InChI Key>
IPRLIIWBGNQKIP-DHUJRADRSA-N

