
 CHEMBL2431125

 58 62  0  0  0  0  0  0  0  0999 V2000
    0.3242    0.7962   -0.9778 C   0  0  0  0  0
    1.7086    0.5881   -0.7237 O   0  0  0  0  0
    2.4596    1.6971   -0.4579 C   0  0  0  0  0
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    1.9887    2.9986   -0.3438 C   0  0  0  0  0
    5.0398    4.8836    0.2527 N   0  0  0  0  0
    6.3558    4.6503    0.3639 C   0  0  0  0  0
    6.9315    3.4399    0.3186 N   0  0  0  0  0
    6.1251    2.3753    0.1482 C   0  0  0  0  0
    6.7019    1.0814    0.1236 N   0  0  0  0  0
    6.5791    0.4202    1.4467 C   0  0  0  0  0
    7.0735   -1.0474    1.3639 C   0  0  0  0  0
    8.4695   -1.1355    0.8431 N   0  0  0  0  0
    8.6407   -0.3572   -0.4180 C   0  0  0  0  0
    8.1200    1.0912   -0.2958 C   0  0  0  0  0
    9.0513   -2.4343    0.8858 C   0  0  0  0  0
    9.6892   -2.9832   -0.2513 C   0  0  0  0  0
   10.2920   -4.2458   -0.2493 C   0  0  0  0  0
   10.2758   -5.0151    0.9002 C   0  0  0  0  0
    9.6787   -4.5099    2.0519 C   0  0  0  0  0
    9.0948   -3.2278    2.0688 C   0  0  0  0  0
    8.5638   -2.6899    3.2185 O   0  0  0  0  0
    8.9055   -3.2949    4.4596 C   0  0  0  0  0
    7.2781    5.8906    0.4926 C   0  0  0  0  0
    6.8917    7.0020    1.5129 C   0  0  0  0  0
    8.4000    7.2469    1.7097 C   0  0  0  0  0
    8.6133    5.7806    1.2837 C   0  0  0  0  0
   -0.1192   -0.1719   -1.2296 H   0  0  0  0  0
    0.1723    1.4634   -1.8330 H   0  0  0  0  0
   -0.1846    1.1752   -0.0854 H   0  0  0  0  0
    4.1996    0.4456   -0.3959 H   0  0  0  0  0
    2.5060    5.0616   -0.0216 H   0  0  0  0  0
    0.9374    3.2438   -0.4522 H   0  0  0  0  0
    5.5389    0.4134    1.7927 H   0  0  0  0  0
    7.1732    0.9633    2.1957 H   0  0  0  0  0
    6.9637   -1.4542    2.3699 H   0  0  0  0  0
    6.4077   -1.6176    0.7031 H   0  0  0  0  0
    9.7031   -0.2957   -0.6820 H   0  0  0  0  0
    8.0975   -0.8552   -1.2319 H   0  0  0  0  0
    8.7445    1.6342    0.4259 H   0  0  0  0  0
    8.2200    1.5758   -1.2751 H   0  0  0  0  0
    9.7296   -2.4442   -1.1924 H   0  0  0  0  0
   10.7666   -4.6206   -1.1521 H   0  0  0  0  0
   10.7329   -6.0007    0.9066 H   0  0  0  0  0
    9.6891   -5.1435    2.9323 H   0  0  0  0  0
    9.9918   -3.3182    4.5990 H   0  0  0  0  0
    8.4702   -4.2952    4.5487 H   0  0  0  0  0
    8.4788   -2.6808    5.2563 H   0  0  0  0  0
    7.4569    6.3262   -0.5038 H   0  0  0  0  0
    6.3847    6.6357    2.4138 H   0  0  0  0  0
    6.3257    7.8443    1.1059 H   0  0  0  0  0
    8.8229    7.9777    1.0103 H   0  0  0  0  0
    8.7136    7.5008    2.7249 H   0  0  0  0  0
    9.5065    5.5919    0.6819 H   0  0  0  0  0
    8.5919    5.0730    2.1210 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  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
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 14 37  1  0  0  0
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 16 17  1  0  0  0
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 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2431125

>  <PubChem CID>
53245521

>  <Formula>
C24H28N4O2

>  <Molecular Weight>
404.514000

>  <IUPAC Name>
2-cyclobutyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC=CC=C4OC)C5CCC5

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC=CC=C4OC)C5CCC5

>  <InChI Std. ID>
InChI=1S/C24H28N4O2/c1-29-18-10-11-20-19(16-18)24(26-23(25-20)17-6-5-7-17)28-14-12-27(13-15-28)21-8-3-4-9-22(21)30-2/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3

>  <InChI Key>
CIWKHKMZANVYGH-UHFFFAOYSA-N

