
 CHEMBL101292

 55 60  0  0  0  0  0  0  0  0999 V2000
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    7.4574   -2.8548   -0.0582 N   0  0  0  0  0
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    3.3056   -5.9356   -5.5702 C   0  0  0  0  0
    2.6247   -5.2820   -4.5459 C   0  0  0  0  0
    2.7897   -3.9057   -4.3690 C   0  0  0  0  0
    3.0834   -7.6259   -5.8037 Cl  0  0  0  0  0
    0.5724    4.6481    0.6257 H   0  0  0  0  0
    2.1664    5.3894    0.9142 H   0  0  0  0  0
    3.3056    2.2597   -2.3028 H   0  0  0  0  0
    4.0872   -0.4563    1.0090 H   0  0  0  0  0
    2.9611    1.1038    2.5388 H   0  0  0  0  0
    5.1272    0.5679   -2.3877 H   0  0  0  0  0
    6.7844    1.4118   -1.6192 H   0  0  0  0  0
    9.1164    1.9584   -1.2519 H   0  0  0  0  0
   10.6669    0.2559   -0.3182 H   0  0  0  0  0
    9.8182   -1.9978    0.2256 H   0  0  0  0  0
    6.6765   -5.1498    0.6456 H   0  0  0  0  0
    4.3715   -6.0300    0.5788 H   0  0  0  0  0
    2.5295   -4.5847   -0.2550 H   0  0  0  0  0
    2.9959   -2.3256   -1.0045 H   0  0  0  0  0
    4.3850   -1.2760   -5.8722 H   0  0  0  0  0
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    2.2366   -3.4025   -3.5784 H   0  0  0  0  0
  1  5  1  0  0  0
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  1 37  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL101292

>  <PubChem CID>
44332650

>  <Formula>
C29H20ClNO4

>  <Molecular Weight>
481.932000

>  <IUPAC Name>
(4-chlorophenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1OC2=C(O1)C=C(C=C2)C(C3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC6=CC=C(C=C6)Cl

>  <Isomeric SMILES>
C1OC2=C(O1)C=C(C=C2)C(C3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC6=CC=C(C=C6)Cl

>  <InChI Std. ID>
InChI=1S/C29H20ClNO4/c30-20-12-9-18(10-13-20)16-33-29(32)27(19-11-14-25-26(15-19)35-17-34-25)28-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)28/h1-15,27H,16-17H2

>  <InChI Key>
BDQKQZBSECLBLP-UHFFFAOYSA-N

