
 CHEMBL283374

 66 68  0  0  0  0  0  0  0  0999 V2000
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    4.0630   -4.2693    2.2377 H   0  0  0  0  0
    5.8114   -3.5990    3.8628 H   0  0  0  0  0
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    6.3817    5.8206    1.0907 H   0  0  0  0  0
    6.2666    5.1533    2.7133 H   0  0  0  0  0
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  5  6  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL283374

>  <PubChem CID>
44273032

>  <Formula>
C26H28ClF3N2O5S

>  <Molecular Weight>
573.024000

>  <IUPAC Name>
(Z)-7-[(1R,2S,5E)-2-[(4-chlorophenyl)sulfonylamino]-5-[[4-(trifluoromethyl)phenyl]methoxyimino]cyclopentyl]hept-5-enoic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC(=NOCC2=CC=C(C=C2)C(F)(F)F)C(C1NS(=O)(=O)C3=CC=C(C=C3)Cl)CC=CCCCC(=O)O

>  <Isomeric SMILES>
C1C/C(=N\OCC2=CC=C(C=C2)C(F)(F)F)/[C@@H]([C@H]1NS(=O)(=O)C3=CC=C(C=C3)Cl)C/C=C\CCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H28ClF3N2O5S/c27-20-11-13-21(14-12-20)38(35,36)32-24-16-15-23(22(24)5-3-1-2-4-6-25(33)34)31-37-17-18-7-9-19(10-8-18)26(28,29)30/h1,3,7-14,22,24,32H,2,4-6,15-17H2,(H,33,34)/b3-1-,31-23+/t22-,24-/m0/s1

>  <InChI Key>
BFBMPTYTKRKMQA-RNSLGXKZSA-N

