
 CHEMBL3216880

 84 84  0  0  0  0  0  0  0  0999 V2000
    7.2222   10.8331    6.2443 C   0  0  0  0  0
    6.4978    9.8381    7.0984 C   0  0  0  0  0
    5.8411    8.8179    6.5045 N   0  0  0  0  0
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    4.5515    6.8647    5.1386 O   0  0  0  0  0
    3.8875    5.9782    4.3084 C   0  0  0  0  0
    4.2917    6.2231    2.8661 C   0  0  0  0  0
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    5.1052    6.6861    0.2133 C   0  0  0  0  0
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    3.9196    7.4263    2.2075 C   0  0  0  0  0
    2.9959    8.6532    3.0875 Cl  0  0  0  0  0
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    8.4897   12.2564  -10.9165 C   0  0  0  0  0
    8.7422   11.1470  -11.3693 O   0  0  0  0  0
    8.9311   13.3633  -11.5842 N   0  0  0  0  0
    9.6976   13.2484  -12.8069 C   0  0  0  0  0
    5.5583    3.7304    2.8890 Cl  0  0  0  0  0
    5.8202    9.0150    9.3017 C   0  0  0  0  0
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    5.8290    9.2152   10.7547 N   0  0  0  0  0
    6.3690   10.2668   11.4223 C   0  0  0  0  0
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    5.4579    8.9143   12.8739 C   0  0  0  0  0
    5.2784    8.4028   11.6430 N   0  0  0  0  0
    4.0911    0.3498    5.0886 Cl  0  0  0  0  0
    4.7331   -3.8450    3.1351 Cl  0  0  0  0  0
    1.9006    7.0155   -5.3716 Cl  0  0  0  0  0
   -2.2651   -3.8631    1.2461 Cl  0  0  0  0  0
    7.7144   11.6219    6.8520 H   0  0  0  0  0
    6.5038   11.3181    5.5508 H   0  0  0  0  0
    8.0019   10.3103    5.6508 H   0  0  0  0  0
    4.3748    6.8097   10.3734 H   0  0  0  0  0
    3.2898    5.0868    9.1387 H   0  0  0  0  0
    3.3129    5.0508    6.7060 H   0  0  0  0  0
    2.7865    6.0851    4.4205 H   0  0  0  0  0
    4.1485    4.9511    4.6201 H   0  0  0  0  0
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    5.4227    6.8377   -0.8107 H   0  0  0  0  0
    1.8992    8.4810    0.5799 H   0  0  0  0  0
    2.2241    9.2254   -0.9961 H   0  0  0  0  0
    2.3841   10.2204    0.5194 H   0  0  0  0  0
    5.1140   11.6924   -0.8362 H   0  0  0  0  0
    3.5165   11.0761   -1.3544 H   0  0  0  0  0
    5.5291    9.7979   -2.9625 H   0  0  0  0  0
    6.0003   10.5509   -5.1733 H   0  0  0  0  0
    5.3678   13.5353   -5.4927 H   0  0  0  0  0
    6.4020   14.5836   -7.4098 H   0  0  0  0  0
    7.5571   14.5251   -9.5317 H   0  0  0  0  0
    7.6754   10.2006   -9.3419 H   0  0  0  0  0
    6.5281   10.2709   -7.2164 H   0  0  0  0  0
    8.7486   14.3082  -11.2277 H   0  0  0  0  0
   10.6329   12.6796  -12.6152 H   0  0  0  0  0
    9.9701   14.2582  -13.1796 H   0  0  0  0  0
    9.0992   12.7288  -13.5851 H   0  0  0  0  0
    7.0180   10.7905    8.9198 H   0  0  0  0  0
    6.8827   11.1122   10.9935 H   0  0  0  0  0
    6.4422   10.7596   13.5729 H   0  0  0  0  0
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    4.4397   -0.2151    3.8837 H   0  0  0  0  0
    3.3731   -4.0440    3.0784 H   0  0  0  0  0
    1.4727    5.7915   -5.8318 H   0  0  0  0  0
   -1.5081   -4.7258    0.4878 H   0  0  0  0  0
  1  2  1  0  0  0
  1 51  1  0  0  0
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  2 41  1  0  0  0
  2  3  2  0  0  0
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  5 40  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 54  1  0  0  0
  7  8  1  0  0  0
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  9 10  1  0  0  0
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 17 18  1  0  0  0
 19 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3216880

>  <PubChem CID>
90665033

>  <Formula>
C34H34Cl6N6O4

>  <Molecular Weight>
803.384000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-pyrazol-1-ylquinolin-8-yl)oxymethyl]anilino]-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=CC=N5.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=CC=N5.Cl.Cl.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C34H30Cl2N6O4.4ClH/c1-21-18-28(42-17-5-16-39-42)24-6-4-7-29(33(24)40-21)46-20-25-26(35)13-14-27(32(25)36)41(3)31(44)19-38-30(43)15-10-22-8-11-23(12-9-22)34(45)37-2;;;;/h4-18H,19-20H2,1-3H3,(H,37,45)(H,38,43);4*1H/b15-10+;;;;

>  <InChI Key>
GFALMCSFOIFEPF-VYYKFXENSA-N

