
 CHEMBL2314330

 54 57  0  0  0  0  0  0  0  0999 V2000
    6.2996    0.5419   -3.1038 C   0  0  0  0  0
    5.7456    0.4449   -1.7171 C   0  0  0  0  0
    6.2329   -0.2510   -0.8334 O   0  0  0  0  0
    4.6714    1.2676   -1.5865 O   0  0  0  0  0
    4.2240    1.5353   -0.2370 C   0  0  0  0  0
    4.9657    2.7777    0.3224 C   0  0  0  0  0
    4.2129    3.4961    1.4458 C   0  0  0  0  0
    3.7842    2.7463    2.5604 C   0  0  0  0  0
    3.0565    3.3354    3.5874 C   0  0  0  0  0
    2.7279    4.6839    3.5153 C   0  0  0  0  0
    3.1443    5.4703    2.4333 C   0  0  0  0  0
    2.7878    6.8291    2.3938 C   0  0  0  0  0
    3.1943    7.6505    1.3461 C   0  0  0  0  0
    3.9796    7.1254    0.3326 C   0  0  0  0  0
    4.3407    5.7751    0.3568 C   0  0  0  0  0
    3.9188    4.8977    1.3891 C   0  0  0  0  0
    6.3618    2.4614    0.6970 N   0  0  0  0  0
    7.3924    2.8397   -0.1665 C   0  0  0  0  0
    7.1929    3.4490   -1.2174 O   0  0  0  0  0
    8.7827    2.4413    0.2292 C   0  0  0  0  0
    8.9224    1.5161    1.1810 C   0  0  0  0  0
    7.7225    1.0760    1.8950 C   0  0  0  0  0
    6.5290    1.5335    1.7099 N   0  0  0  0  0
   10.4255    0.8488    1.6703 Cl  0  0  0  0  0
    9.8976    2.9090   -0.4649 O   0  0  0  0  0
    9.9597    4.2236   -0.8608 C   0  0  0  0  0
    9.4609    5.2914   -0.1133 C   0  0  0  0  0
    9.5655    6.5927   -0.6124 C   0  0  0  0  0
   10.1761    6.8346   -1.8449 C   0  0  0  0  0
   10.7329    5.7718   -2.5566 C   0  0  0  0  0
   10.6253    4.4690   -2.0625 C   0  0  0  0  0
   10.2032    8.1440   -2.2406 O   0  0  0  0  0
   10.2495    8.3529   -3.6487 C   0  0  0  0  0
    6.4272    1.5933   -3.3791 H   0  0  0  0  0
    5.6401    0.0371   -3.8117 H   0  0  0  0  0
    7.2870    0.0712   -3.1281 H   0  0  0  0  0
    4.3210    0.6472    0.3979 H   0  0  0  0  0
    3.1522    1.7504   -0.3205 H   0  0  0  0  0
    5.0081    3.4498   -0.5355 H   0  0  0  0  0
    4.0283    1.6879    2.6394 H   0  0  0  0  0
    2.7416    2.7421    4.4417 H   0  0  0  0  0
    2.1465    5.1217    4.3241 H   0  0  0  0  0
    2.1818    7.2619    3.1872 H   0  0  0  0  0
    2.9062    8.6978    1.3284 H   0  0  0  0  0
    4.3179    7.7603   -0.4820 H   0  0  0  0  0
    4.9751    5.4339   -0.4573 H   0  0  0  0  0
    7.8710    0.3030    2.6670 H   0  0  0  0  0
    8.9784    5.1362    0.8463 H   0  0  0  0  0
    9.1526    7.4229   -0.0446 H   0  0  0  0  0
   11.2607    5.9271   -3.4911 H   0  0  0  0  0
   11.0527    3.6426   -2.6239 H   0  0  0  0  0
   10.0529    9.4129   -3.8361 H   0  0  0  0  0
    9.4754    7.7740   -4.1648 H   0  0  0  0  0
   11.2426    8.1242   -4.0474 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 17  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 17 23  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 48  1  0  0  0
 28 29  2  0  0  0
 28 49  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 50  1  0  0  0
 31 51  1  0  0  0
 32 33  1  0  0  0
 33 52  1  0  0  0
 33 53  1  0  0  0
 33 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314330

>  <PubChem CID>
50904419

>  <Formula>
C25H21ClN2O5

>  <Molecular Weight>
464.902000

>  <IUPAC Name>
[2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-naphthalen-1-ylethyl] acetate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)OCC(C1=CC=CC2=CC=CC=C21)N3C(=O)C(=C(C=N3)Cl)OC4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC(=O)OCC(C1=CC=CC2=CC=CC=C21)N3C(=O)C(=C(C=N3)Cl)OC4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C25H21ClN2O5/c1-16(29)32-15-23(21-9-5-7-17-6-3-4-8-20(17)21)28-25(30)24(22(26)14-27-28)33-19-12-10-18(31-2)11-13-19/h3-14,23H,15H2,1-2H3

>  <InChI Key>
AQOQQCIZUAZFGM-UHFFFAOYSA-N

