
 CHEMBL217247

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.8901    2.2476    1.4683 C   0  0  0  0  0
    4.3393    2.1023    0.9953 C   0  0  0  0  0
    4.5496    0.8133    0.1887 C   0  0  0  0  0
    3.9170    0.8658   -1.2034 C   0  0  0  0  0
    4.3562    2.0961   -2.0067 C   0  0  0  0  0
    4.1724    3.3915   -1.2060 C   0  0  0  0  0
    4.7951    3.3263    0.1906 C   0  0  0  0  0
    5.7375    1.9653   -2.4475 N   0  0  0  0  0
    6.1114    1.3449   -3.6118 C   0  0  0  0  0
    5.3035    0.8076   -4.3675 O   0  0  0  0  0
    7.6045    1.2723   -3.8802 C   0  0  0  0  0
    8.1992    0.0730   -3.1657 C   0  0  0  0  0
    9.6084   -0.0914   -3.5348 N   0  0  0  0  0
   10.4234    1.0330   -3.6328 C   0  0  0  0  0
    9.8670    2.3183   -3.6705 C   0  0  0  0  0
    8.3875    2.5203   -3.4789 C   0  0  0  0  0
    8.1678    2.8620   -2.0951 O   0  0  0  0  0
   10.7089    3.4308   -3.7995 C   0  0  0  0  0
   12.0777    3.2449   -3.9012 C   0  0  0  0  0
   12.5666    1.9485   -3.8647 C   0  0  0  0  0
   11.7630    0.8658   -3.7197 N   0  0  0  0  0
   14.0423    1.7026   -3.9622 C   0  0  0  0  0
   10.2507   -1.3725   -3.1972 C   0  0  0  0  0
   10.5245   -1.4791   -1.6779 C   0  0  0  0  0
   11.1289   -2.7516   -1.2306 N   0  0  0  0  0
   12.5161   -2.9277   -1.7192 C   0  0  0  0  0
   13.5364   -1.9855   -1.0575 C   0  0  0  0  0
   13.5222   -2.1242    0.3701 O   0  0  0  0  0
   12.2103   -1.8847    0.8934 C   0  0  0  0  0
   11.1664   -2.8170    0.2508 C   0  0  0  0  0
    2.7768    3.1441    2.0876 H   0  0  0  0  0
    2.5950    1.3856    2.0760 H   0  0  0  0  0
    2.1842    2.3268    0.6365 H   0  0  0  0  0
    4.9627    2.0403    1.8970 H   0  0  0  0  0
    4.1476   -0.0454    0.7396 H   0  0  0  0  0
    5.6274    0.6341    0.0831 H   0  0  0  0  0
    4.1675   -0.0541   -1.7455 H   0  0  0  0  0
    2.8252    0.8776   -1.1019 H   0  0  0  0  0
    3.7350    2.1570   -2.9089 H   0  0  0  0  0
    4.6084    4.2368   -1.7528 H   0  0  0  0  0
    3.1006    3.6036   -1.1115 H   0  0  0  0  0
    5.8880    3.2992    0.0967 H   0  0  0  0  0
    4.5602    4.2474    0.7376 H   0  0  0  0  0
    6.4792    2.3721   -1.8757 H   0  0  0  0  0
    7.7181    1.1353   -4.9659 H   0  0  0  0  0
    7.6442   -0.8327   -3.4417 H   0  0  0  0  0
    8.1039    0.1758   -2.0773 H   0  0  0  0  0
    8.0403    3.3713   -4.0769 H   0  0  0  0  0
    9.0362    3.0335   -1.6849 H   0  0  0  0  0
   10.2985    4.4372   -3.8161 H   0  0  0  0  0
   12.7453    4.0936   -4.0056 H   0  0  0  0  0
   14.2514    0.6363   -4.0946 H   0  0  0  0  0
   14.5401    2.0419   -3.0487 H   0  0  0  0  0
   14.4629    2.2382   -4.8198 H   0  0  0  0  0
   11.1660   -1.5076   -3.7840 H   0  0  0  0  0
    9.5875   -2.1929   -3.5009 H   0  0  0  0  0
    9.5538   -1.3860   -1.1742 H   0  0  0  0  0
   11.1128   -0.6151   -1.3516 H   0  0  0  0  0
   12.5698   -2.8414   -2.8084 H   0  0  0  0  0
   12.8078   -3.9617   -1.4915 H   0  0  0  0  0
   14.5446   -2.2404   -1.3996 H   0  0  0  0  0
   13.3578   -0.9373   -1.3222 H   0  0  0  0  0
   12.2490   -2.0679    1.9721 H   0  0  0  0  0
   11.9541   -0.8285    0.7534 H   0  0  0  0  0
   11.4080   -3.8514    0.5275 H   0  0  0  0  0
   10.1732   -2.6164    0.6699 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  7  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 21  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 18 19  2  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 59  1  0  0  0
 26 60  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 29 64  1  0  0  0
 30 65  1  0  0  0
 30 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217247

>  <PubChem CID>
16086885

>  <Formula>
C23H36N4O3

>  <Molecular Weight>
416.566000

>  <IUPAC Name>
4-hydroxy-7-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-1,8-naphthyridine-3-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCC(CC1)NC(=O)C2CN(C3=C(C2O)C=CC(=N3)C)CCN4CCOCC4

>  <Isomeric SMILES>
CC1CCC(CC1)NC(=O)C2CN(C3=C(C2O)C=CC(=N3)C)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H36N4O3/c1-16-3-6-18(7-4-16)25-23(29)20-15-27(10-9-26-11-13-30-14-12-26)22-19(21(20)28)8-5-17(2)24-22/h5,8,16,18,20-21,28H,3-4,6-7,9-15H2,1-2H3,(H,25,29)

>  <InChI Key>
AKIHZSZXRINSHC-UHFFFAOYSA-N

