
 CHEMBL132510

 74 77  0  0  0  0  0  0  0  0999 V2000
   11.5670    8.0175    6.5553 C   0  0  0  0  0
   11.5057    6.7406    5.8913 N   0  0  0  0  0
   11.6958    5.4990    6.4496 C   0  0  0  0  0
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   11.3548    2.1920    4.7236 O   0  0  0  0  0
   11.3939    2.5766    3.3502 C   0  0  0  0  0
   11.1976    1.3353    2.5026 C   0  0  0  0  0
    9.9421    1.0333    1.9440 C   0  0  0  0  0
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   13.7764    0.6721    3.1097 Cl  0  0  0  0  0
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   13.9261   -5.2784    1.1153 N   0  0  0  0  0
   14.9341   -6.2010    1.1249 C   0  0  0  0  0
   16.1099   -5.9309    0.9062 O   0  0  0  0  0
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   14.5418  -14.8906    3.2100 N   0  0  0  0  0
   14.0385  -16.1793    3.6580 C   0  0  0  0  0
   15.8534  -14.9093    2.5794 C   0  0  0  0  0
    8.5500    2.0373    2.1680 Cl  0  0  0  0  0
   11.2499    5.3046    4.2207 N   0  0  0  0  0
   11.2679    6.5719    4.5555 C   0  0  0  0  0
   11.0931    7.6007    3.7308 O   0  0  0  0  0
   11.1142    7.2503    2.3521 C   0  0  0  0  0
   11.5727    7.8799    7.6382 H   0  0  0  0  0
   10.6881    8.6040    6.2734 H   0  0  0  0  0
   12.4815    8.5248    6.2378 H   0  0  0  0  0
   11.9475    1.7189    7.1358 H   0  0  0  0  0
   12.3501    3.3288    8.9596 H   0  0  0  0  0
   12.1739    5.7756    8.5584 H   0  0  0  0  0
   12.3543    3.0470    3.1025 H   0  0  0  0  0
   10.6113    3.3050    3.1289 H   0  0  0  0  0
    8.7805   -0.3404    0.7462 H   0  0  0  0  0
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   14.5489   -3.7146   -0.0748 H   0  0  0  0  0
   12.9843   -5.5180    1.4116 H   0  0  0  0  0
   13.4206   -7.7992    1.3511 H   0  0  0  0  0
   16.4093   -8.1998    2.0622 H   0  0  0  0  0
   14.3730   -9.2196    4.3333 H   0  0  0  0  0
   13.7358  -11.5030    5.0117 H   0  0  0  0  0
   14.7109  -12.9485    1.0677 H   0  0  0  0  0
   15.4076  -10.6797    0.4091 H   0  0  0  0  0
   12.9763  -16.1368    3.9131 H   0  0  0  0  0
   14.6032  -16.4796    4.5464 H   0  0  0  0  0
   14.1807  -16.9192    2.8652 H   0  0  0  0  0
   16.3761  -13.9584    2.6898 H   0  0  0  0  0
   15.7207  -15.1460    1.5193 H   0  0  0  0  0
   16.4688  -15.6878    3.0409 H   0  0  0  0  0
   10.9450    8.1600    1.7685 H   0  0  0  0  0
   10.3212    6.5355    2.1068 H   0  0  0  0  0
   12.0943    6.8462    2.0742 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL132510

>  <PubChem CID>
10627732

>  <Formula>
C31H31Cl2N5O5

>  <Molecular Weight>
624.519000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=C(C(=CC=C2)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)N(C)C)Cl)N=C1OC

>  <Isomeric SMILES>
CN1C2=C(C(=CC=C2)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)N(C)C)Cl)N=C1OC

>  <InChI Std. ID>
InChI=1S/C31H31Cl2N5O5/c1-36(2)30(41)20-12-9-19(10-13-20)11-16-26(39)34-17-27(40)37(3)23-15-14-22(32)21(28(23)33)18-43-25-8-6-7-24-29(25)35-31(42-5)38(24)4/h6-16H,17-18H2,1-5H3,(H,34,39)/b16-11+

>  <InChI Key>
AZGZSEGUTUYBMW-LFIBNONCSA-N

