
 CHEMBL1762695

 57 60  0  0  0  0  0  0  0  0999 V2000
   -2.9324   -0.1665    0.3564 C   0  0  0  0  0
   -2.7563    1.1778    0.0601 C   0  0  0  0  0
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    0.6761   -1.2199    0.3092 C   0  0  0  0  0
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    0.8671    1.4266   -0.2189 N   0  0  0  0  0
    3.2077    1.1601   -0.2766 N   0  0  0  0  0
    3.3978    2.5952   -0.1656 C   0  0  0  0  0
    3.3316    3.0871    1.2849 C   0  0  0  0  0
    3.6125    4.5693    1.3765 C   0  0  0  0  0
    2.5670    5.4958    1.2519 C   0  0  0  0  0
    2.8280    6.8671    1.2994 C   0  0  0  0  0
    4.1353    7.3178    1.4670 C   0  0  0  0  0
    5.1843    6.4089    1.5884 C   0  0  0  0  0
    4.9238    5.0373    1.5420 C   0  0  0  0  0
    4.4579    9.0072    1.5188 Cl  0  0  0  0  0
    0.6900   -2.6134    0.5191 N   0  0  0  0  0
    0.2638   -3.3715   -0.6716 C   0  0  0  0  0
    1.4218   -3.6036   -1.6534 C   0  0  0  0  0
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   -1.8517   -6.2874   -6.7853 O   0  0  0  0  0
    0.5426   -6.4979   -7.5945 O   0  0  0  0  0
   -0.4702   -8.2614   -6.1572 N   0  0  0  0  0
   -3.9286   -0.5690    0.5191 H   0  0  0  0  0
   -3.6155    1.8397   -0.0157 H   0  0  0  0  0
   -1.3385    2.7402   -0.3539 H   0  0  0  0  0
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    3.8804    0.5568    0.1784 H   0  0  0  0  0
    2.6855    3.1383   -0.8002 H   0  0  0  0  0
    4.3890    2.8250   -0.5763 H   0  0  0  0  0
    4.0539    2.5387    1.9034 H   0  0  0  0  0
    2.3490    2.8781    1.7256 H   0  0  0  0  0
    1.5432    5.1530    1.1129 H   0  0  0  0  0
    2.0097    7.5754    1.2017 H   0  0  0  0  0
    6.2045    6.7605    1.7159 H   0  0  0  0  0
    5.7520    4.3374    1.6324 H   0  0  0  0  0
    1.6749   -2.8110    0.7048 H   0  0  0  0  0
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    0.7042   -2.6072   -4.1006 H   0  0  0  0  0
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   -1.4250   -8.6184   -6.2186 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
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 12 13  1  0  0  0
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 33 56  1  0  0  0
 33 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1762695

>  <PubChem CID>
54584003

>  <Formula>
C24H24ClN5O2S

>  <Molecular Weight>
481.999000

>  <IUPAC Name>
4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)NCCC3=CC=C(C=C3)Cl)NCCC4=CC=C(C=C4)S(=O)(=O)N

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)NCCC3=CC=C(C=C3)Cl)NCCC4=CC=C(C=C4)S(=O)(=O)N

>  <InChI Std. ID>
InChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)

>  <InChI Key>
HYDYVUPTSSQFHY-UHFFFAOYSA-N

