
 CHEMBL2001516

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.7240    0.8932    4.2637 C   0  0  0  0  0
   -1.1727    0.8698    2.9512 C   0  0  0  0  0
   -1.1603   -0.3278    2.2309 C   0  0  0  0  0
   -0.6984   -1.5384    2.7989 C   0  0  0  0  0
   -0.2619   -1.4964    4.1493 C   0  0  0  0  0
   -0.2749   -0.2835    4.8590 C   0  0  0  0  0
    0.1873   -2.6661    4.7784 C   0  0  0  0  0
    0.2089   -3.8799    4.0990 C   0  0  0  0  0
   -0.2017   -3.9361    2.7718 C   0  0  0  0  0
   -0.6399   -2.7787    2.0990 C   0  0  0  0  0
   -1.0036   -2.9151    0.6318 C   0  0  0  0  0
   -2.4017   -3.2912    0.4084 N   0  0  0  0  0
   -2.7277   -4.6252    0.1942 C   0  0  0  0  0
   -1.8901   -5.5241    0.1900 O   0  0  0  0  0
   -4.1633   -4.9545   -0.0702 C   0  0  0  0  0
   -5.0376   -3.9394   -0.0806 C   0  0  0  0  0
   -4.5421   -2.5784    0.1708 C   0  0  0  0  0
   -3.3118   -2.2598    0.3919 N   0  0  0  0  0
   -6.7195   -4.0779   -0.4027 Cl  0  0  0  0  0
   -4.5074   -6.4055   -0.3548 C   0  0  0  0  0
   -3.8157   -6.8810   -1.5799 C   0  0  0  0  0
   -3.3149   -7.2438   -2.5614 N   0  0  0  0  0
   -4.3615   -7.3292    0.8505 C   0  0  0  0  0
   -5.4387   -7.4685    1.7374 C   0  0  0  0  0
   -5.3725   -8.2905    2.8589 C   0  0  0  0  0
   -4.1991   -8.9874    3.1191 C   0  0  0  0  0
   -3.1057   -8.8679    2.2642 C   0  0  0  0  0
   -3.1871   -8.0470    1.1343 C   0  0  0  0  0
   -4.0941  -10.0003    4.5046 Cl  0  0  0  0  0
   -6.5766   -6.8000    1.5044 F   0  0  0  0  0
   -0.7271    1.8226    4.8264 H   0  0  0  0  0
   -1.5353    1.7802    2.4814 H   0  0  0  0  0
   -1.5352   -0.2985    1.2111 H   0  0  0  0  0
    0.0690   -0.2464    5.8906 H   0  0  0  0  0
    0.5244   -2.6402    5.8126 H   0  0  0  0  0
    0.5559   -4.7788    4.6016 H   0  0  0  0  0
   -0.1651   -4.8919    2.2507 H   0  0  0  0  0
   -0.3467   -3.6647    0.1720 H   0  0  0  0  0
   -0.7955   -1.9930    0.0781 H   0  0  0  0  0
   -5.2948   -1.7723    0.1536 H   0  0  0  0  0
   -5.5668   -6.4747   -0.6358 H   0  0  0  0  0
   -6.2335   -8.3760    3.5140 H   0  0  0  0  0
   -2.1834   -9.4074    2.4687 H   0  0  0  0  0
   -2.3120   -7.9737    0.4880 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 20 23  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  3  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 30  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 43  1  0  0  0
 28 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2001516

>  <PubChem CID>
53384699

>  <Formula>
C23H14Cl2FN3O

>  <Molecular Weight>
438.283000

>  <IUPAC Name>
2-(4-chloro-2-fluorophenyl)-2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]acetonitrile

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=C(C=C(C=C4)Cl)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=C(C=C(C=C4)Cl)F

>  <InChI Std. ID>
InChI=1S/C23H14Cl2FN3O/c24-16-8-9-18(21(26)10-16)19(11-27)22-20(25)12-28-29(23(22)30)13-15-6-3-5-14-4-1-2-7-17(14)15/h1-10,12,19H,13H2

>  <InChI Key>
BLVLFAUCIRCENR-UHFFFAOYSA-N

