
 CHEMBL195698

 57 59  0  0  0  0  0  0  0  0999 V2000
    7.7928   -2.0603   -3.8459 C   0  0  0  0  0
    7.2457   -1.3198   -2.6291 C   0  0  0  0  0
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    6.8052    2.6885    0.2089 C   0  0  0  0  0
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    6.5259    4.6550    1.7637 C   0  0  0  0  0
    8.5270    4.4370    0.3982 N   0  0  0  0  0
    8.9832    5.3695   -0.5604 C   0  0  0  0  0
    8.1292    6.3215   -0.9748 N   0  0  0  0  0
    8.5724    7.2214   -1.8669 C   0  0  0  0  0
    9.8104    7.2313   -2.3829 N   0  0  0  0  0
   10.6643    6.3010   -1.9511 C   0  0  0  0  0
   11.9484    6.2958   -2.4800 C   0  0  0  0  0
   12.9082    5.3577   -2.0908 C   0  0  0  0  0
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    5.4211    9.3320   -2.2249 C   0  0  0  0  0
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    8.8498   -1.8298   -4.0127 H   0  0  0  0  0
    7.2318   -1.8153   -4.7532 H   0  0  0  0  0
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    6.1704   -1.5209   -2.5473 H   0  0  0  0  0
    7.6765    0.4080   -4.6879 H   0  0  0  0  0
    7.5017    1.8674   -3.7974 H   0  0  0  0  0
    5.2364   -0.1526   -4.2686 H   0  0  0  0  0
    5.4832    1.3773   -5.1139 H   0  0  0  0  0
    5.0694    1.3868   -3.3984 H   0  0  0  0  0
    7.3665    0.1705   -0.5150 H   0  0  0  0  0
    5.8588    0.5601   -1.3353 H   0  0  0  0  0
    6.7538    2.8026   -1.9385 H   0  0  0  0  0
    8.3372    2.3514   -1.2997 H   0  0  0  0  0
    7.3148    2.1054    0.9868 H   0  0  0  0  0
    5.7301    2.4982    0.3188 H   0  0  0  0  0
    6.5362    4.7317   -0.3739 H   0  0  0  0  0
    6.9799    4.1000    2.5921 H   0  0  0  0  0
    5.4415    4.5093    1.8109 H   0  0  0  0  0
    6.7302    5.7191    1.9251 H   0  0  0  0  0
    9.0400    3.5688    0.3067 H   0  0  0  0  0
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   13.9005    5.3796   -2.5333 H   0  0  0  0  0
   13.3268    3.6739   -0.8189 H   0  0  0  0  0
   11.0843    3.6462    0.1694 H   0  0  0  0  0
    5.9859    7.6283   -1.0515 H   0  0  0  0  0
    4.4185    9.3674   -1.8069 H   0  0  0  0  0
    5.1192   11.0353   -3.5066 H   0  0  0  0  0
    7.4147   10.9455   -4.4468 H   0  0  0  0  0
    8.9952    9.2129   -3.7059 H   0  0  0  0  0
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  2  3  1  0  0  0
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  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
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  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL195698

>  <PubChem CID>
3758269

>  <Formula>
C23H30N4

>  <Molecular Weight>
362.521000

>  <IUPAC Name>
1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine

>  <XlogP>
5.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCCC(C)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

>  <Isomeric SMILES>
CCN(CC)CCCC(C)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H30N4/c1-4-27(5-2)17-11-12-18(3)24-23-20-15-9-10-16-21(20)25-22(26-23)19-13-7-6-8-14-19/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,24,25,26)

>  <InChI Key>
CPLFUAYNZKWBMW-UHFFFAOYSA-N

