
 CHEMBL3215979

 84 84  0  0  0  0  0  0  0  0999 V2000
   -1.6285    4.1074    3.7160 C   0  0  0  0  0
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    1.9087    8.7937   -1.4940 H   0  0  0  0  0
    1.8112   10.0561   -0.1865 H   0  0  0  0  0
    4.4110   11.6831   -1.5087 H   0  0  0  0  0
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    6.9862    9.9146   -7.3264 H   0  0  0  0  0
    7.0755   12.8543  -12.6856 H   0  0  0  0  0
    8.1364   10.8350  -14.4045 H   0  0  0  0  0
    9.5051   11.8776  -13.8281 H   0  0  0  0  0
    8.1217   12.6106  -14.7263 H   0  0  0  0  0
   -2.9617    4.3903    6.0540 H   0  0  0  0  0
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   -4.2204    6.8270   10.9061 H   0  0  0  0  0
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    1.0939    5.7864    2.2649 H   0  0  0  0  0
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    1.7271   -2.4985    2.4203 H   0  0  0  0  0
   -0.3563   -1.8390   -4.0378 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3215979

>  <PubChem CID>
90664530

>  <Formula>
C34H34Cl6N6O4

>  <Molecular Weight>
803.384000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;tetrahydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NC)Cl)C(=C1)N5C=CN=C5.Cl.Cl.Cl.Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NC)Cl)C(=C1)N5C=CN=C5.Cl.Cl.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C34H30Cl2N6O4.4ClH/c1-21-17-28(42-16-15-38-20-42)24-5-4-6-29(33(24)40-21)46-19-25-26(35)12-13-27(32(25)36)41(3)31(44)18-39-30(43)14-9-22-7-10-23(11-8-22)34(45)37-2;;;;/h4-17,20H,18-19H2,1-3H3,(H,37,45)(H,39,43);4*1H/b14-9+;;;;

>  <InChI Key>
GHJINNOSXOBIKA-GPZOHOMCSA-N

