
 CHEMBL3228808

 55 56  0  0  0  0  0  0  0  0999 V2000
    7.6082    9.1429    1.3457 C   0  0  0  0  0
    7.0581    7.7500    1.6125 C   0  0  0  0  0
    7.4924    6.7623    0.5273 C   0  0  0  0  0
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    7.3135    4.3444   -0.2104 N   0  0  0  0  0
    8.7534    4.2455   -0.5077 C   0  0  0  0  0
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   11.1157    3.7167    0.2171 C   0  0  0  0  0
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    6.6956    3.0418    0.1468 C   0  0  0  0  0
    6.8694    1.9156   -0.8941 C   0  0  0  0  0
    6.2715    0.6513   -0.4616 N   0  0  0  0  0
    7.0413   -0.2399    0.2598 C   0  0  0  0  0
    8.2040   -0.0382    0.6071 O   0  0  0  0  0
    6.4122   -1.5289    0.6264 C   0  0  0  0  0
    5.1450   -1.8087    0.3088 C   0  0  0  0  0
    4.3318   -0.8229   -0.4054 C   0  0  0  0  0
    4.9089    0.4036   -0.7686 C   0  0  0  0  0
    4.2163    1.3764   -1.4058 N   0  0  0  0  0
    2.9210    1.1516   -1.7091 C   0  0  0  0  0
    2.2789   -0.0401   -1.3995 C   0  0  0  0  0
    2.9861   -1.0543   -0.7430 C   0  0  0  0  0
    2.2807   -2.3426   -0.4225 C   0  0  0  0  0
    2.1754    2.2597   -2.3897 C   0  0  0  0  0
    7.2935    9.8331    2.1346 H   0  0  0  0  0
    7.2466    9.5312    0.3884 H   0  0  0  0  0
    8.7029    9.1339    1.3209 H   0  0  0  0  0
    5.9644    7.7954    1.6625 H   0  0  0  0  0
    7.4155    7.4070    2.5906 H   0  0  0  0  0
    8.5865    6.7762    0.4757 H   0  0  0  0  0
    7.1122    7.0940   -0.4468 H   0  0  0  0  0
    5.8911    5.4006    0.9142 H   0  0  0  0  0
    7.3575    5.0218    1.8071 H   0  0  0  0  0
    9.1107    5.2097   -0.8883 H   0  0  0  0  0
    8.9013    3.5776   -1.3642 H   0  0  0  0  0
    9.3391    2.8089    1.0165 H   0  0  0  0  0
    9.5679    4.4937    1.4914 H   0  0  0  0  0
   11.4480    4.6952   -0.1484 H   0  0  0  0  0
   11.2216    3.0059   -0.6106 H   0  0  0  0  0
   11.9370    3.9815    2.2064 H   0  0  0  0  0
   13.0549    3.2477    1.0433 H   0  0  0  0  0
   11.7314    2.2860    1.7251 H   0  0  0  0  0
    5.6171    3.2008    0.2784 H   0  0  0  0  0
    7.0668    2.6968    1.1204 H   0  0  0  0  0
    7.9343    1.7206   -1.0596 H   0  0  0  0  0
    6.4648    2.2157   -1.8681 H   0  0  0  0  0
    7.0413   -2.2298    1.1619 H   0  0  0  0  0
    4.7156   -2.7628    0.5889 H   0  0  0  0  0
    1.2344   -0.1748   -1.6676 H   0  0  0  0  0
    1.2550   -2.3464   -0.8068 H   0  0  0  0  0
    2.2279   -2.4893    0.6608 H   0  0  0  0  0
    2.8017   -3.1879   -0.8841 H   0  0  0  0  0
    1.3853    2.6385   -1.7340 H   0  0  0  0  0
    1.7293    1.9020   -3.3227 H   0  0  0  0  0
    2.8471    3.0900   -2.6308 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
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 10 43  1  0  0  0
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 12 18  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3228808

>  <PubChem CID>
90654321

>  <Formula>
C20H31N3O

>  <Molecular Weight>
329.488000

>  <IUPAC Name>
1-[2-(dibutylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCN(CCCC)CCN1C(=O)C=CC2=C1N=C(C=C2C)C

>  <Isomeric SMILES>
CCCCN(CCCC)CCN1C(=O)C=CC2=C1N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C20H31N3O/c1-5-7-11-22(12-8-6-2)13-14-23-19(24)10-9-18-16(3)15-17(4)21-20(18)23/h9-10,15H,5-8,11-14H2,1-4H3

>  <InChI Key>
MQBOXBQSQRKNAM-UHFFFAOYSA-N

