
 CHEMBL3663428

 51 55  0  0  0  0  0  0  0  0999 V2000
   -1.2714   -1.3227   -0.2549 C   0  0  0  0  0
   -0.9256   -0.0724   -1.0965 C   0  0  0  0  0
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    1.1164   -1.5225    0.4347 C   0  0  0  0  0
   -0.3017   -1.2017    0.9364 C   0  0  0  0  0
   -0.2139    0.2389    1.0792 N   0  0  0  0  0
   -1.0159    1.0288    1.8799 C   0  0  0  0  0
   -1.4609    2.1150    1.5314 O   0  0  0  0  0
   -1.1354    0.6033    3.3013 C   0  0  0  0  0
   -2.3499    0.6458    4.0116 C   0  0  0  0  0
   -2.2793    0.3617    5.3881 C   0  0  0  0  0
   -1.0772    0.0690    6.0383 C   0  0  0  0  0
    0.1092    0.0381    5.3217 C   0  0  0  0  0
    0.0807    0.3054    3.9577 C   0  0  0  0  0
   -3.3912    0.3387    6.1409 F   0  0  0  0  0
   -3.6437    0.9462    3.3963 C   0  0  0  0  0
   -4.5026    1.7158    4.0971 N   0  0  0  0  0
   -5.7120    1.9293    3.5509 C   0  0  0  0  0
   -6.0902    1.4179    2.3353 C   0  0  0  0  0
   -5.1472    0.6441    1.6998 C   0  0  0  0  0
   -3.9312    0.3695    2.2126 N   0  0  0  0  0
    2.6883    0.4807    0.2077 C   0  0  0  0  0
    3.8166   -0.4002    0.1413 O   0  0  0  0  0
    4.8639   -0.0005    0.9464 C   0  0  0  0  0
    4.9031    1.2633    1.4241 N   0  0  0  0  0
    5.9580    1.5736    2.2162 C   0  0  0  0  0
    6.9608    0.6775    2.5451 C   0  0  0  0  0
    6.9038   -0.6101    2.0351 C   0  0  0  0  0
    5.8362   -0.9574    1.2102 C   0  0  0  0  0
    7.9701    1.0439    3.3442 F   0  0  0  0  0
   -1.1429   -2.2522   -0.8185 H   0  0  0  0  0
   -2.3130   -1.2642    0.0793 H   0  0  0  0  0
   -1.8047    0.5782   -1.1664 H   0  0  0  0  0
   -0.6032   -0.3250   -2.1116 H   0  0  0  0  0
    0.3001    1.6658   -0.4397 H   0  0  0  0  0
    1.6981   -0.5188   -1.4300 H   0  0  0  0  0
    1.7970   -1.6580    1.2830 H   0  0  0  0  0
    1.1509   -2.4298   -0.1775 H   0  0  0  0  0
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   -1.0857   -0.1258    7.1066 H   0  0  0  0  0
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    1.0185    0.3242    3.4045 H   0  0  0  0  0
   -6.3851    2.5432    4.1416 H   0  0  0  0  0
   -7.0640    1.6118    1.9079 H   0  0  0  0  0
   -5.3496    0.2046    0.7277 H   0  0  0  0  0
    2.4736    0.7602    1.2476 H   0  0  0  0  0
    2.8996    1.3868   -0.3729 H   0  0  0  0  0
    5.9798    2.5898    2.5956 H   0  0  0  0  0
    7.6787   -1.3282    2.2802 H   0  0  0  0  0
    5.7538   -1.9543    0.7923 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3663428

>  <PubChem CID>
90413164

>  <Formula>
C23H20F2N4O2

>  <Molecular Weight>
422.436000

>  <IUPAC Name>
[3-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2C(CC1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)COC5=NC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2C(CC1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)COC5=NC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C23H20F2N4O2/c24-15-5-8-20(28-12-15)31-13-14-11-16-6-7-19(14)29(16)23(30)17-3-1-4-18(25)21(17)22-26-9-2-10-27-22/h1-5,8-10,12,14,16,19H,6-7,11,13H2

>  <InChI Key>
AOCUBVGHAGVKIE-UHFFFAOYSA-N

