
 CHEMBL352615

 86 91  0  0  0  0  0  0  0  0999 V2000
    7.0439    2.5989   -3.2322 C   0  0  0  0  0
    6.7865    2.3668   -1.8465 O   0  0  0  0  0
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    3.6364    6.0858   -2.1881 H   0  0  0  0  0
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    3.4705   10.3106   -0.3321 H   0  0  0  0  0
    4.1102    9.3866    0.9859 H   0  0  0  0  0
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    3.5090   12.2676    0.5346 H   0  0  0  0  0
    3.0413   13.2768    1.8640 H   0  0  0  0  0
    1.7084   13.8349   -0.1187 H   0  0  0  0  0
    1.2121   12.1776   -0.3115 H   0  0  0  0  0
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    1.1913   10.7649    3.7134 H   0  0  0  0  0
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    0.5314   10.5044   -3.7604 H   0  0  0  0  0
    2.4267   10.1741   -2.2543 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL352615

>  <PubChem CID>
44382024

>  <Formula>
C34H39Cl2N3O7S

>  <Molecular Weight>
704.660000

>  <IUPAC Name>
[(5R)-5-(3,4-dichlorophenyl)-5-[2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCC4(CC3)CN(C5=CC=CC=C45)S(=O)(=O)C)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCC4(CC3)CN(C5=CC=CC=C45)S(=O)(=O)C)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H39Cl2N3O7S/c1-43-29-17-23(18-30(44-2)31(29)45-3)32(40)38-21-34(46-22-38,24-9-10-26(35)27(36)19-24)13-16-37-14-11-33(12-15-37)20-39(47(4,41)42)28-8-6-5-7-25(28)33/h5-10,17-19H,11-16,20-22H2,1-4H3/t34-/m0/s1

>  <InChI Key>
GVMXWDPIBITJQM-UMSFTDKQSA-N

