
 CHEMBL288371

 61 65  0  0  0  0  0  0  0  0999 V2000
    7.5066   -1.2508    3.2339 C   0  0  0  0  0
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    0.6778   -6.9263    1.0322 C   0  0  0  0  0
    1.6021   -6.6171    0.0280 C   0  0  0  0  0
    7.9507   -2.2507    3.2163 H   0  0  0  0  0
    6.7422   -1.2397    4.0175 H   0  0  0  0  0
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    5.5456    3.2089    3.1717 H   0  0  0  0  0
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    0.3734   -7.8113    2.9716 H   0  0  0  0  0
   -0.3711   -6.6725    0.8992 H   0  0  0  0  0
    1.2275   -6.1145   -0.8619 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 35  1  0  0  0
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  4 37  1  0  0  0
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  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
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  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL288371

>  <PubChem CID>
44287803

>  <Formula>
C28H28N2O2S

>  <Molecular Weight>
456.604000

>  <IUPAC Name>
2-[2-(2-methoxyphenyl)ethanimidoyl]-4,4-diphenyl-1,3,3a,7a-tetrahydrothiopyrano[3,4-c]pyrrol-7-one

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1CC(=N)N2CC3C(C2)C(SCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1CC(=N)N2CC3C(C2)C(SCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H28N2O2S/c1-32-26-15-9-8-10-20(26)16-27(29)30-17-23-24(18-30)28(33-19-25(23)31,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,23-24,29H,16-19H2,1H3

>  <InChI Key>
AEGBWONMUPOGGH-UHFFFAOYSA-N

