
 CHEMBL3582020

 58 62  0  0  0  0  0  0  0  0999 V2000
    3.2610    0.8585   -1.3690 C   0  0  0  0  0
    4.7025    1.3875   -1.2485 C   0  0  0  0  0
    5.4003    0.5961   -0.1236 C   0  0  0  0  0
    5.4374    1.1403   -2.5457 C   0  0  0  0  0
    6.0092    0.0302   -2.9693 N   0  0  0  0  0
    6.5006    0.2943   -4.2301 N   0  0  0  0  0
    6.1944    1.5472   -4.4984 C   0  0  0  0  0
    5.5306    2.1568   -3.4660 O   0  0  0  0  0
    6.4557    2.3360   -5.6877 C   0  0  0  0  0
    7.1094    1.7635   -6.7755 C   0  0  0  0  0
    7.4031    2.4174   -7.9281 N   0  0  0  0  0
    7.0243    3.7099   -8.0046 C   0  0  0  0  0
    6.3667    4.3767   -6.9844 C   0  0  0  0  0
    6.0785    3.6774   -5.8122 C   0  0  0  0  0
    4.7486    2.8127   -0.8710 N   0  0  0  0  0
    4.0399    3.8183   -1.4898 C   0  0  0  0  0
    3.1992    3.6395   -2.3641 O   0  0  0  0  0
    4.3808    5.2055   -1.0420 C   0  0  0  0  0
    5.2466    5.3235    0.0010 N   0  0  0  0  0
    5.5441    6.5924    0.3831 C   0  0  0  0  0
    5.0531    7.7586   -0.2402 C   0  0  0  0  0
    4.1776    7.5650   -1.3155 C   0  0  0  0  0
    3.8230    6.2812   -1.7144 C   0  0  0  0  0
    5.4095    9.0673    0.1358 N   0  0  0  0  0
    4.8881   10.3266   -0.2895 C   0  0  0  0  0
    5.6066   10.9937    0.8930 C   0  0  0  0  0
    5.9462    9.5696    1.3610 C   0  0  0  0  0
    4.8218   11.7229    1.7228 F   0  0  0  0  0
    6.6625   11.7814    0.5726 F   0  0  0  0  0
    6.3858    6.7683    1.4675 O   0  0  0  0  0
    6.8931    5.5630    2.0332 C   0  0  0  0  0
    7.7366    5.9358    3.2192 C   0  0  0  0  0
    7.1999    5.7944    4.6222 C   0  0  0  0  0
    8.2807    4.8692    4.1353 C   0  0  0  0  0
    2.7387    1.2658   -2.2416 H   0  0  0  0  0
    2.6717    1.1094   -0.4799 H   0  0  0  0  0
    3.2470   -0.2318   -1.4863 H   0  0  0  0  0
    4.9078    0.7677    0.8410 H   0  0  0  0  0
    6.4489    0.9008   -0.0148 H   0  0  0  0  0
    5.3901   -0.4820   -0.3178 H   0  0  0  0  0
    7.4291    0.7232   -6.7569 H   0  0  0  0  0
    7.2700    4.2108   -8.9369 H   0  0  0  0  0
    6.0826    5.4169   -7.0991 H   0  0  0  0  0
    5.5568    4.1854   -5.0043 H   0  0  0  0  0
    5.4949    3.1315   -0.2597 H   0  0  0  0  0
    3.7575    8.4120   -1.8504 H   0  0  0  0  0
    3.1340    6.1292   -2.5415 H   0  0  0  0  0
    3.7964   10.3783   -0.2440 H   0  0  0  0  0
    5.2465   10.6203   -1.2797 H   0  0  0  0  0
    7.0134    9.3680    1.4807 H   0  0  0  0  0
    5.3847    9.2396    2.2400 H   0  0  0  0  0
    7.5243    5.0447    1.3016 H   0  0  0  0  0
    6.0721    4.9054    2.3453 H   0  0  0  0  0
    8.3886    6.7755    3.0036 H   0  0  0  0  0
    6.2081    5.3806    4.7665 H   0  0  0  0  0
    7.4694    6.5532    5.3485 H   0  0  0  0  0
    9.2806    5.0064    4.5330 H   0  0  0  0  0
    8.0189    3.8347    3.9460 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2 15  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 30  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
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 30 31  1  0  0  0
 31 32  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
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 33 56  1  0  0  0
 34 57  1  0  0  0
 34 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3582020

>  <PubChem CID>
122179276

>  <Formula>
C23H24F2N6O3

>  <Molecular Weight>
470.481000

>  <IUPAC Name>
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C)(C1=NN=C(O1)C2=CN=CC=C2)NC(=O)C3=NC(=C(C=C3)N4CC(C4)(F)F)OCC5CC5

>  <Isomeric SMILES>
CC(C)(C1=NN=C(O1)C2=CN=CC=C2)NC(=O)C3=NC(=C(C=C3)N4CC(C4)(F)F)OCC5CC5

>  <InChI Std. ID>
InChI=1S/C23H24F2N6O3/c1-22(2,21-30-29-19(34-21)15-4-3-9-26-10-15)28-18(32)16-7-8-17(31-12-23(24,25)13-31)20(27-16)33-11-14-5-6-14/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,28,32)

>  <InChI Key>
FENJHNQEXSOWIO-UHFFFAOYSA-N

