
 CHEMBL2153471

 53 56  0  0  0  0  0  0  0  0999 V2000
   -3.1527    1.5606    4.1739 C   0  0  0  0  0
   -2.6824    0.2980    3.8476 C   0  0  0  0  0
   -3.4575   -0.5326    3.0247 C   0  0  0  0  0
   -4.6989   -0.0641    2.5593 C   0  0  0  0  0
   -5.1464    1.1506    2.8835 N   0  0  0  0  0
   -4.3809    1.9357    3.6711 C   0  0  0  0  0
   -5.4590   -0.8111    1.7616 N   0  0  0  0  0
   -5.0269   -2.0303    1.3596 C   0  0  0  0  0
   -3.8231   -2.5683    1.7910 C   0  0  0  0  0
   -3.0286   -1.8095    2.6406 C   0  0  0  0  0
   -5.8881   -2.8055    0.3885 C   0  0  0  0  0
   -7.1796   -2.1060   -0.0560 C   0  0  0  0  0
   -6.9331   -0.8877   -0.9462 C   0  0  0  0  0
   -8.2440   -0.2548   -1.3571 C   0  0  0  0  0
   -8.7879   -0.5165   -2.4250 O   0  0  0  0  0
   -8.7731    0.6015   -0.4246 N   0  0  0  0  0
   -9.9759    1.3698   -0.6741 C   0  0  0  0  0
  -11.0574    1.0694    0.3264 C   0  0  0  0  0
  -11.1414    1.8615    1.4159 N   0  0  0  0  0
  -12.0958    1.6161    2.3757 N   0  0  0  0  0
  -12.9554    0.5789    2.2512 C   0  0  0  0  0
  -12.8908   -0.2429    1.1316 C   0  0  0  0  0
  -11.9235    0.0005    0.1580 C   0  0  0  0  0
  -13.9184    0.3964    3.3569 C   0  0  0  0  0
  -14.4144   -0.8738    3.7157 C   0  0  0  0  0
  -15.3219   -1.0428    4.7797 C   0  0  0  0  0
  -15.7336    0.0768    5.4930 C   0  0  0  0  0
  -15.2620    1.3426    5.1722 C   0  0  0  0  0
  -14.3614    1.4983    4.1150 C   0  0  0  0  0
  -16.5942   -0.0554    6.5106 F   0  0  0  0  0
  -15.8481   -2.3911    5.1682 C   0  0  0  0  0
  -15.5307   -2.7417    6.4442 F   0  0  0  0  0
  -17.2027   -2.4816    5.0698 F   0  0  0  0  0
  -15.3604   -3.3958    4.3828 F   0  0  0  0  0
   -2.5774    2.2347    4.7991 H   0  0  0  0  0
   -1.7175   -0.0317    4.2228 H   0  0  0  0  0
   -4.8029    2.9143    3.8890 H   0  0  0  0  0
   -3.4992   -3.5517    1.4657 H   0  0  0  0  0
   -2.0773   -2.2062    2.9844 H   0  0  0  0  0
   -6.1600   -3.7549    0.8667 H   0  0  0  0  0
   -5.2868   -3.0475   -0.4969 H   0  0  0  0  0
   -7.7810   -1.8278    0.8184 H   0  0  0  0  0
   -7.7830   -2.8285   -0.6209 H   0  0  0  0  0
   -6.3881   -1.1725   -1.8533 H   0  0  0  0  0
   -6.3267   -0.1235   -0.4498 H   0  0  0  0  0
   -8.2776    0.7600    0.4480 H   0  0  0  0  0
  -10.3478    1.2013   -1.6909 H   0  0  0  0  0
   -9.6967    2.4271   -0.6059 H   0  0  0  0  0
  -13.5833   -1.0662    0.9937 H   0  0  0  0  0
  -11.8504   -0.6374   -0.7182 H   0  0  0  0  0
  -14.0763   -1.7599    3.1785 H   0  0  0  0  0
  -15.5919    2.2029    5.7471 H   0  0  0  0  0
  -13.9997    2.5004    3.8827 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
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 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
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 17 18  1  0  0  0
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 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
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 25 26  1  0  0  0
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 26 27  2  0  0  0
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 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153471

>  <PubChem CID>
71453125

>  <Formula>
C24H19F4N5O

>  <Molecular Weight>
469.444000

>  <IUPAC Name>
N-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=NN=C(C=C3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=NN=C(C=C3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H19F4N5O/c25-20-10-7-16(13-19(20)24(26,27)28)21-11-9-18(32-33-21)14-30-22(34)5-1-4-17-8-6-15-3-2-12-29-23(15)31-17/h2-3,6-13H,1,4-5,14H2,(H,30,34)

>  <InChI Key>
JZMUHLQNGXIGBL-UHFFFAOYSA-N

