
 CHEMBL37385

 53 57  0  0  0  0  0  0  0  0999 V2000
    0.2929    2.3310   -1.1548 C   0  0  0  0  0
    0.7527    0.8940   -1.4387 C   0  0  0  0  0
    2.2375    0.8883   -1.0611 C   0  0  0  0  0
    3.0554    1.4583   -2.1976 C   0  0  0  0  0
    3.0794    2.8189   -2.4364 C   0  0  0  0  0
    2.3621    3.8089   -1.5766 C   0  0  0  0  0
    1.5069    3.0289   -0.5096 C   0  0  0  0  0
    2.3187    1.8992    0.0368 N   0  0  0  0  0
    1.8168    1.4262    1.3324 C   0  0  0  0  0
    2.6429    0.3005    1.9759 C   0  0  0  0  0
    4.0182    0.7011    2.5255 C   0  0  0  0  0
    5.0140    1.3034    1.5327 C   0  0  0  0  0
    5.5196    0.3316    0.4784 C   0  0  0  0  0
    5.1938   -0.8553    0.4538 O   0  0  0  0  0
    6.5347    0.8316   -0.4967 C   0  0  0  0  0
    7.3945   -0.0941   -1.1017 C   0  0  0  0  0
    8.3897    0.3382   -1.9808 C   0  0  0  0  0
    8.5258    1.6949   -2.2667 C   0  0  0  0  0
    7.6617    2.6209   -1.6837 C   0  0  0  0  0
    6.6678    2.1910   -0.7997 C   0  0  0  0  0
    3.8649    3.0637   -3.5200 N   0  0  0  0  0
    4.3398    1.8658   -4.0191 C   0  0  0  0  0
    3.8455    0.8395   -3.2013 C   0  0  0  0  0
    4.1863   -0.4919   -3.5026 C   0  0  0  0  0
    5.0002   -0.7404   -4.6066 C   0  0  0  0  0
    5.4835    0.2877   -5.4065 C   0  0  0  0  0
    5.1641    1.6185   -5.1250 C   0  0  0  0  0
    5.3211   -2.0064   -4.9094 F   0  0  0  0  0
   -0.5556    2.3103   -0.4610 H   0  0  0  0  0
   -0.0405    2.8308   -2.0704 H   0  0  0  0  0
    0.5727    0.6163   -2.4831 H   0  0  0  0  0
    0.1889    0.1963   -0.8081 H   0  0  0  0  0
    2.6095   -0.1032   -0.7936 H   0  0  0  0  0
    3.1018    4.4326   -1.0606 H   0  0  0  0  0
    1.7224    4.4600   -2.1818 H   0  0  0  0  0
    1.1915    3.7414    0.2616 H   0  0  0  0  0
    0.7764    1.0895    1.2635 H   0  0  0  0  0
    1.8150    2.2720    2.0328 H   0  0  0  0  0
    2.7384   -0.5528    1.2986 H   0  0  0  0  0
    2.0604   -0.0778    2.8274 H   0  0  0  0  0
    4.4677   -0.1851    2.9918 H   0  0  0  0  0
    3.8656    1.4261    3.3350 H   0  0  0  0  0
    5.8924    1.6290    2.1064 H   0  0  0  0  0
    4.5835    2.1900    1.0675 H   0  0  0  0  0
    7.2984   -1.1553   -0.8823 H   0  0  0  0  0
    9.0585   -0.3854   -2.4395 H   0  0  0  0  0
    9.2999    2.0309   -2.9530 H   0  0  0  0  0
    7.7588    3.6771   -1.9183 H   0  0  0  0  0
    5.9979    2.9342   -0.3797 H   0  0  0  0  0
    4.0708    3.9718   -3.9123 H   0  0  0  0  0
    3.8327   -1.3166   -2.8935 H   0  0  0  0  0
    6.1143    0.0449   -6.2561 H   0  0  0  0  0
    5.5404    2.4248   -5.7452 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  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
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 17 18  2  0  0  0
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 18 19  1  0  0  0
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 19 20  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL37385

>  <PubChem CID>
44284022

>  <Formula>
C24H25FN2O

>  <Molecular Weight>
376.475000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2C3=C(CC1N2CCCCC(=O)C4=CC=CC=C4)NC5=C3C=C(C=C5)F

>  <Isomeric SMILES>
C1CC2C3=C(CC1N2CCCCC(=O)C4=CC=CC=C4)NC5=C3C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C24H25FN2O/c25-17-9-11-20-19(14-17)24-21(26-20)15-18-10-12-22(24)27(18)13-5-4-8-23(28)16-6-2-1-3-7-16/h1-3,6-7,9,11,14,18,22,26H,4-5,8,10,12-13,15H2

>  <InChI Key>
FOTLRAPJUJGUCI-UHFFFAOYSA-N

