
 CHEMBL1204094

 60 65  0  0  0  0  0  0  0  0999 V2000
    2.4967   -1.5461    1.4680 C   0  0  0  0  0
    2.2873   -1.3466   -0.0467 C   0  0  0  0  0
    1.1243   -2.0983   -0.5401 N   0  0  0  0  0
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    0.8380    0.1204    2.2367 C   0  0  0  0  0
    1.8629    1.1770    2.6710 C   0  0  0  0  0
    2.3463    1.0027    4.1093 C   0  0  0  0  0
    3.3392    2.1051    4.4787 C   0  0  0  0  0
    3.8165    1.9531    5.8351 N   0  0  0  0  0
    3.1913    2.5131    6.9495 C   0  0  0  0  0
    2.1327    3.1057    7.0210 O   0  0  0  0  0
    4.2019    2.3208    8.0357 C   0  0  0  0  0
    4.1000    2.4095    9.5598 C   0  0  0  0  0
    5.5899    2.5205    9.9249 C   0  0  0  0  0
    6.3652    1.5219    9.4491 C   0  0  0  0  0
    5.6178    0.3845    8.7541 C   0  0  0  0  0
    4.6812    0.9160    7.6554 C   0  0  0  0  0
    4.8746    1.1115    6.1871 C   0  0  0  0  0
    5.6594    0.5312    5.4630 O   0  0  0  0  0
    4.5674   -0.1398    9.8017 C   0  0  0  0  0
    3.5948    1.0556   10.1543 C   0  0  0  0  0
    3.9225    0.7228   11.6058 C   0  0  0  0  0
    4.8516   -0.2037   11.2899 C   0  0  0  0  0
    0.8452   -1.8442   -1.8903 C   0  0  0  0  0
   -0.3607   -2.1856   -2.3800 N   0  0  0  0  0
   -0.6172   -1.9084   -3.6726 C   0  0  0  0  0
    0.2770   -1.2932   -4.5084 C   0  0  0  0  0
    1.4819   -0.9850   -3.9359 C   0  0  0  0  0
    1.7848   -1.2527   -2.6521 N   0  0  0  0  0
    2.8052   -2.5860    1.6453 H   0  0  0  0  0
    3.3460   -0.9437    1.8084 H   0  0  0  0  0
    3.1977   -1.6909   -0.5543 H   0  0  0  0  0
    2.1739   -0.2740   -0.2512 H   0  0  0  0  0
   -0.6679   -1.1767    0.1225 H   0  0  0  0  0
   -0.7267   -2.9451    0.0382 H   0  0  0  0  0
   -0.6818   -2.0426    2.3897 H   0  0  0  0  0
    0.5515   -3.2240    2.0293 H   0  0  0  0  0
   -0.0374    0.2206    2.8915 H   0  0  0  0  0
    0.4986    0.3916    1.2306 H   0  0  0  0  0
    1.3922    2.1636    2.5721 H   0  0  0  0  0
    2.7180    1.1837    1.9852 H   0  0  0  0  0
    2.8224    0.0233    4.2369 H   0  0  0  0  0
    1.4902    1.0293    4.7943 H   0  0  0  0  0
    2.8631    3.0873    4.3858 H   0  0  0  0  0
    4.2024    2.0723    3.8039 H   0  0  0  0  0
    4.9487    3.0850    7.7380 H   0  0  0  0  0
    3.5184    3.2665    9.9079 H   0  0  0  0  0
    5.9742    3.3620   10.4893 H   0  0  0  0  0
    7.4340    1.4692    9.6210 H   0  0  0  0  0
    6.2870   -0.4096    8.4140 H   0  0  0  0  0
    3.8202    0.2197    7.6362 H   0  0  0  0  0
    4.0525   -1.0340    9.4189 H   0  0  0  0  0
    2.5512    0.8720    9.8643 H   0  0  0  0  0
    3.5806    1.1456   12.5464 H   0  0  0  0  0
    5.5200   -0.8251   11.8792 H   0  0  0  0  0
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    0.0505   -1.0707   -5.5405 H   0  0  0  0  0
    2.2677   -0.4955   -4.5030 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
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  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
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  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
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 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1204094

>  <PubChem CID>
9804072

>  <Formula>
C24H29N5O2

>  <Molecular Weight>
419.529000

>  <IUPAC Name>


>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCCN2C(=O)C3C4C=CC(C3C2=O)C5C4C=C5)C6=NC=CC=N6

>  <Isomeric SMILES>
C1CN(CCN1CCCCN2C(=O)C3C4C=CC(C3C2=O)C5C4C=C5)C6=NC=CC=N6

>  <InChI Std. ID>
InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2

>  <InChI Key>
AERLHOTUXIJQFV-UHFFFAOYSA-N

