
 CHEMBL354170

 76 80  0  0  0  0  0  0  0  0999 V2000
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    3.9955    5.0756   -0.4926 Cl  0  0  0  0  0
   11.9259   -4.8164   -4.5401 H   0  0  0  0  0
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   10.1500    4.0128    1.1058 H   0  0  0  0  0
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    9.0531    3.0875   -2.4555 H   0  0  0  0  0
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   11.3296    8.7284    0.2736 H   0  0  0  0  0
   11.4728    9.7491    1.6607 H   0  0  0  0  0
    9.9832   10.7262   -0.0750 H   0  0  0  0  0
    8.9403    9.3276    0.0081 H   0  0  0  0  0
    8.0416    9.9314    3.7393 H   0  0  0  0  0
    7.6188    8.8775    2.4144 H   0  0  0  0  0
   10.3591    9.1835    3.7551 H   0  0  0  0  0
    9.2970    7.8074    3.8429 H   0  0  0  0  0
    7.6426   10.8414   -0.8276 H   0  0  0  0  0
    5.5227   11.8573   -1.4520 H   0  0  0  0  0
    4.0700   12.9124    0.2545 H   0  0  0  0  0
    4.7836   12.9471    2.6297 H   0  0  0  0  0
    6.9118   11.9353    3.3042 H   0  0  0  0  0
    9.9183   12.8074    0.7500 H   0  0  0  0  0
   10.7633   13.3536    2.1563 H   0  0  0  0  0
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    6.7393    7.9904   -3.3151 H   0  0  0  0  0
    8.8419    7.0999   -2.4301 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL354170

>  <PubChem CID>
44382530

>  <Formula>
C32H34Cl2N4O4

>  <Molecular Weight>
609.548000

>  <IUPAC Name>
1-[2-[(5R)-3-(4-acetamidobenzoyl)-5-(3,4-dichlorophenyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)N2CC(OC2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)N2C[C@@](OC2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C32H34Cl2N4O4/c1-22(39)36-26-10-7-23(8-11-26)29(40)38-20-32(42-21-38,25-9-12-27(33)28(34)19-25)15-18-37-16-13-31(14-17-37,30(35)41)24-5-3-2-4-6-24/h2-12,19H,13-18,20-21H2,1H3,(H2,35,41)(H,36,39)/t32-/m0/s1

>  <InChI Key>
BIDZTODFGRDEQL-YTTGMZPUSA-N

