-ISIS-  08091621332D

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    1.3792    0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.7833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.1042   -3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  6  1  1  0  0  0  0
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  3  7  2  0  0  0  0
 24 17  2  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <ID> (BBL000826)
BBL000826

>  <Rotatable_Bonds> (BBL000826)
4

>  <logP> (BBL000826)
6.192

>  <PSA> (BBL000826)
83.64

>  <H_Donors> (BBL000826)
1

>  <H_Acceptors> (BBL000826)
3

>  <Number_of_rings> (BBL000826)
3

>  <NAME> (BBL000826)
ethyl 2-{[(2-chlorophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate

>  <Mol_Weight> (BBL000826)
385.87

>  <Mol_Formula> (BBL000826)
C20H16ClNO3S

>  <Smiles> (BBL000826)
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)c1ccccc1Cl

>  <Alternative_identifier> (BBL000826)
MFCD00266057

$$$$