
 CHEMBL2216810

 81 85  0  0  0  0  0  0  0  0999 V2000
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    7.9531    9.1611    0.3985 H   0  0  0  0  0
    9.4737   10.3586   -1.2607 H   0  0  0  0  0
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   10.0128   13.2569   -0.2769 H   0  0  0  0  0
    8.4048   13.9283   -0.3390 H   0  0  0  0  0
    9.4155   14.0950   -2.5514 H   0  0  0  0  0
    9.7913   12.3760   -2.5821 H   0  0  0  0  0
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    6.0661   11.4394   -2.5982 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2216810

>  <PubChem CID>
71461546

>  <Formula>
C33H38Cl2N4O3S

>  <Molecular Weight>
641.652000

>  <IUPAC Name>
2-[(2R,5R)-2-(2,4-dichlorophenyl)-4-oxo-3-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-1,3-thiazolidin-5-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)CC3C(=O)N(C(S3)C4=C(C=C(C=C4)Cl)Cl)CC(=O)NCCCN5CCCCC5

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)C[C@@H]3C(=O)N([C@H](S3)C4=C(C=C(C=C4)Cl)Cl)CC(=O)NCCCN5CCCCC5

>  <InChI Std. ID>
InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29+,33+/m0/s1

>  <InChI Key>
COUJFDKQCHWQLT-LFNQMEPFSA-N

