
 CHEMBL217266

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.9436    0.8178   -0.9044 C   0  0  0  0  0
    2.4250    0.7686   -0.6780 C   0  0  0  0  0
    2.9211   -0.3652   -0.1228 N   0  0  0  0  0
    4.2484   -0.4445    0.1495 C   0  0  0  0  0
    5.0966    0.6325   -0.1269 C   0  0  0  0  0
    4.5791    1.7963   -0.6990 C   0  0  0  0  0
    3.2186    1.8693   -0.9724 C   0  0  0  0  0
    6.5367    0.5469    0.2037 C   0  0  0  0  0
    7.2953    1.4686   -0.0899 O   0  0  0  0  0
    7.0220   -0.6674    0.9064 C   0  0  0  0  0
    6.1216   -1.6415    1.1076 C   0  0  0  0  0
    4.7856   -1.6062    0.7451 N   0  0  0  0  0
    3.8806   -2.7517    0.9002 C   0  0  0  0  0
    3.9560   -3.6811   -0.2948 C   0  0  0  0  0
    3.0896   -3.5097   -1.3845 C   0  0  0  0  0
    3.1658   -4.3539   -2.4936 C   0  0  0  0  0
    4.1113   -5.3766   -2.5277 C   0  0  0  0  0
    4.9830   -5.5544   -1.4553 C   0  0  0  0  0
    4.9084   -4.7105   -0.3452 C   0  0  0  0  0
    8.4091   -0.8610    1.4167 C   0  0  0  0  0
    8.7340   -1.8759    2.0272 O   0  0  0  0  0
    9.2712    0.1793    1.1774 N   0  0  0  0  0
   10.6581    0.1852    1.6322 C   0  0  0  0  0
   11.5276   -0.6323    0.6702 C   0  0  0  0  0
   13.0073   -0.7093    1.0460 C   0  0  0  0  0
   13.7572    0.5903    0.7720 C   0  0  0  0  0
   13.6989    1.6267    1.8899 C   0  0  0  0  0
   12.3875    1.7582    2.6562 C   0  0  0  0  0
   11.1219    1.6386    1.8124 C   0  0  0  0  0
    0.6981    1.4282   -1.7791 H   0  0  0  0  0
    0.4486    1.2406   -0.0246 H   0  0  0  0  0
    0.5499   -0.1890   -1.0777 H   0  0  0  0  0
    5.2256    2.6417   -0.9192 H   0  0  0  0  0
    2.7925    2.7706   -1.4028 H   0  0  0  0  0
    6.4092   -2.5643    1.6083 H   0  0  0  0  0
    2.8404   -2.4538    1.0853 H   0  0  0  0  0
    4.1568   -3.3175    1.8015 H   0  0  0  0  0
    2.3523   -2.7095   -1.3754 H   0  0  0  0  0
    2.4897   -4.2093   -3.3321 H   0  0  0  0  0
    4.1722   -6.0319   -3.3925 H   0  0  0  0  0
    5.7246   -6.3482   -1.4843 H   0  0  0  0  0
    5.6017   -4.8602    0.4795 H   0  0  0  0  0
    8.9385    0.9559    0.6029 H   0  0  0  0  0
   10.6684   -0.3120    2.6107 H   0  0  0  0  0
   11.4241   -0.2412   -0.3505 H   0  0  0  0  0
   11.1389   -1.6582    0.6317 H   0  0  0  0  0
   13.1336   -1.0297    2.0867 H   0  0  0  0  0
   13.4603   -1.4920    0.4238 H   0  0  0  0  0
   14.8149    0.3545    0.5957 H   0  0  0  0  0
   13.3957    1.0383   -0.1619 H   0  0  0  0  0
   14.4915    1.4092    2.6172 H   0  0  0  0  0
   13.9579    2.6015    1.4575 H   0  0  0  0  0
   12.3632    1.0240    3.4710 H   0  0  0  0  0
   12.3899    2.7404    3.1462 H   0  0  0  0  0
   10.3272    2.1863    2.3381 H   0  0  0  0  0
   11.2411    2.1395    0.8438 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 29  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 28 54  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217266

>  <PubChem CID>
16086905

>  <Formula>
C24H27N3O2

>  <Molecular Weight>
389.499000

>  <IUPAC Name>
1-benzyl-N-cycloheptyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2CC3=CC=CC=C3)C(=O)NC4CCCCCC4

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2CC3=CC=CC=C3)C(=O)NC4CCCCCC4

>  <InChI Std. ID>
InChI=1S/C24H27N3O2/c1-17-13-14-20-22(28)21(24(29)26-19-11-7-2-3-8-12-19)16-27(23(20)25-17)15-18-9-5-4-6-10-18/h4-6,9-10,13-14,16,19H,2-3,7-8,11-12,15H2,1H3,(H,26,29)

>  <InChI Key>
FYDMSCKJDXXIOE-UHFFFAOYSA-N

