
 CHEMBL275593

 82 86  0  0  0  0  0  0  0  0999 V2000
   -1.8313   10.6809   15.1675 C   0  0  0  0  0
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    0.9970    6.3029    9.6545 O   0  0  0  0  0
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    3.8942    6.3124   10.5154 N   0  0  0  0  0
    3.4945    6.6981   11.8654 C   0  0  0  0  0
    5.0483    6.6015   12.8254 S   0  0  0  0  0
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   -0.5236    3.0480   14.5615 Cl  0  0  0  0  0
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   -2.4162   11.0603   16.0159 H   0  0  0  0  0
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    0.0244   11.1020   16.2032 H   0  0  0  0  0
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   -3.1429    7.5882   15.1202 H   0  0  0  0  0
   -3.2552    8.7900   16.3930 H   0  0  0  0  0
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    0.2868   10.0440   11.0445 H   0  0  0  0  0
   -0.0866    9.7834    8.5878 H   0  0  0  0  0
   -0.6064    8.1048    8.8382 H   0  0  0  0  0
    2.1157    9.2084    8.9792 H   0  0  0  0  0
    3.8410    7.9110    9.2107 H   0  0  0  0  0
    3.5190    6.3528    8.4538 H   0  0  0  0  0
    3.1552    7.7397   11.8366 H   0  0  0  0  0
    5.2847    4.3311   12.0508 H   0  0  0  0  0
    7.5792    5.3205   12.8243 H   0  0  0  0  0
    7.6187    6.1958   11.2741 H   0  0  0  0  0
    9.6324    5.0240   11.2281 H   0  0  0  0  0
    9.6112    3.2462    9.2032 H   0  0  0  0  0
    9.6144    2.1626   10.5742 H   0  0  0  0  0
   11.4339    4.6723    8.6415 H   0  0  0  0  0
   13.8216    5.2379    8.8523 H   0  0  0  0  0
   15.1489    4.3514   10.7218 H   0  0  0  0  0
   15.3312    3.0193   12.7626 H   0  0  0  0  0
   14.3198    1.5803   14.4815 H   0  0  0  0  0
   11.9144    0.9901   14.3506 H   0  0  0  0  0
   10.5341    1.8227   12.5211 H   0  0  0  0  0
    0.5561    5.5465   15.3614 H   0  0  0  0  0
    0.8374    2.8149   12.0610 H   0  0  0  0  0
    2.4541    4.2737   10.9605 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL275593

>  <PubChem CID>
44289105

>  <Formula>
C33H38Cl2N4O4S

>  <Molecular Weight>
657.651000

>  <IUPAC Name>
2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(5-morpholin-4-ylpentylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COCCN1CCCCCNC(=O)CN2C(SC(C2=O)CC(=O)NCC3=CC=CC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1COCCN1CCCCCNC(=O)CN2[C@H](S[C@@H](C2=O)CC(=O)NCC3=CC=CC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H38Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-4-1-5-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-6-8-23-7-2-3-10-26(23)24/h2-3,6-12,19,29,33H,1,4-5,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1

>  <InChI Key>
DUZDBSMMXWAKOU-CYTLCNBWSA-N

