
 CHEMBL3810142

 55 59  0  0  0  0  0  0  0  0999 V2000
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    3.0652   -6.1254    3.2409 C   0  0  0  0  0
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    5.7724    2.4923    0.8255 C   0  0  0  0  0
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    1.3412   -1.7112   -0.1734 H   0  0  0  0  0
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  2 38  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
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  6 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3810142

>  <PubChem CID>
127043048

>  <Formula>
C29H19Cl3N2O2

>  <Molecular Weight>
533.833000

>  <IUPAC Name>
[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl (E)-3-(4,6-dichloro-1H-indol-3-yl)prop-2-enoate

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC(=C1)COC(=O)C=CC2=CNC3=CC(=CC(=C32)Cl)Cl)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

>  <Isomeric SMILES>
C1=CC(=CC(=C1)COC(=O)/C=C/C2=CNC3=CC(=CC(=C32)Cl)Cl)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

>  <InChI Std. ID>
InChI=1S/C29H19Cl3N2O2/c30-22-8-5-20-6-10-24(34-26(20)14-22)9-4-18-2-1-3-19(12-18)17-36-28(35)11-7-21-16-33-27-15-23(31)13-25(32)29(21)27/h1-16,33H,17H2/b9-4+,11-7+

>  <InChI Key>
HFXNFYJSMCRIAG-BFFNUNQPSA-N

