
 CHEMBL1417160

 57 61  0  0  0  0  0  0  0  0999 V2000
    3.9962   -0.4054    3.7650 C   0  0  0  0  0
    4.9175    0.6812    3.7969 O   0  0  0  0  0
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    1.8968    4.6647    0.3116 N   0  0  0  0  0
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    4.2670    4.7771    0.1192 N   0  0  0  0  0
    2.8989    6.4895   -1.0352 C   0  0  0  0  0
    1.7604    6.5822   -2.0920 C   0  0  0  0  0
    1.6721    8.0873   -1.7693 C   0  0  0  0  0
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    7.5383    0.8843    3.2729 C   0  0  0  0  0
    4.3815   -1.1841    4.4303 H   0  0  0  0  0
    3.9181   -0.8302    2.7584 H   0  0  0  0  0
    3.0139   -0.1090    4.1446 H   0  0  0  0  0
    6.5137    3.7662    0.8662 H   0  0  0  0  0
    2.5862    1.6687    2.9649 H   0  0  0  0  0
    3.8657    6.7437   -1.5000 H   0  0  0  0  0
    0.8483    6.0286   -1.8406 H   0  0  0  0  0
    2.0470    6.3407   -3.1191 H   0  0  0  0  0
    2.3257    8.7124   -2.3881 H   0  0  0  0  0
    0.6666    8.5154   -1.7655 H   0  0  0  0  0
    2.9670    8.4870    0.0147 H   0  0  0  0  0
    1.5012    7.5426    0.3746 H   0  0  0  0  0
    1.3213    1.1338    0.6437 H   0  0  0  0  0
    0.2486    2.2064   -0.2764 H   0  0  0  0  0
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   -3.5197    0.5326    0.1005 H   0  0  0  0  0
   -5.4567   -0.7661    0.9614 H   0  0  0  0  0
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    8.6266    0.7767    3.2287 H   0  0  0  0  0
    7.1080   -0.0581    2.9190 H   0  0  0  0  0
    7.2765    1.0911    4.3152 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
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  9 17  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1417160

>  <PubChem CID>
1230851

>  <Formula>
C23H27N5O2

>  <Molecular Weight>
405.502000

>  <IUPAC Name>
2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=N5)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=N5)OC

>  <InChI Std. ID>
InChI=1S/C23H27N5O2/c1-29-19-14-17-18(15-20(19)30-2)25-22(16-6-5-7-16)26-23(17)28-12-10-27(11-13-28)21-8-3-4-9-24-21/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3

>  <InChI Key>
GPLGXZOMVXBMDO-UHFFFAOYSA-N

