
 CHEMBL3641724

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -0.3051   -2.2073    2.0509 C   0  0  0  0  0
   -0.6796   -2.2588    3.3998 C   0  0  0  0  0
   -1.6849   -1.4270    3.9061 C   0  0  0  0  0
   -2.3042   -0.5504    3.0134 C   0  0  0  0  0
   -1.9318   -0.4917    1.6659 C   0  0  0  0  0
   -2.0743   -1.5562    5.2394 N   0  0  0  0  0
   -3.2320   -1.1778    5.9136 C   0  0  0  0  0
   -4.3332   -0.7888    5.2439 N   0  0  0  0  0
   -5.4425   -0.5285    5.9659 C   0  0  0  0  0
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   -3.1804   -1.2822    7.2511 N   0  0  0  0  0
   -6.6563   -0.3537    7.9891 O   0  0  0  0  0
   -7.0727   -1.2741    8.9415 C   0  0  0  0  0
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   -8.2978   -5.7616   10.8229 F   0  0  0  0  0
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   -1.4050   -1.9393    5.8890 H   0  0  0  0  0
   -6.3115   -0.2321    5.3866 H   0  0  0  0  0
   -4.2246   -1.0767    9.0100 H   0  0  0  0  0
   -8.9962   -1.2906   11.5497 H   0  0  0  0  0
   -6.6365   -4.3808    9.7590 H   0  0  0  0  0
   -8.3601   -5.6154   12.8226 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
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  2 34  1  0  0  0
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  5 37  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3641724

>  <PubChem CID>
68325724

>  <Formula>
C19H18F2N6O3

>  <Molecular Weight>
416.389000

>  <IUPAC Name>
5-[5-(difluoromethoxy)pyrimidin-2-yl]oxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)OC4=NC=C(C=N4)OC(F)F

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)OC4=NC=C(C=N4)OC(F)F

>  <InChI Std. ID>
InChI=1S/C19H18F2N6O3/c20-17(21)29-14-9-25-19(26-10-14)30-15-7-23-18(24-8-15)27-13-3-1-12(2-4-13)16-11-22-5-6-28-16/h1-4,7-10,16-17,22H,5-6,11H2,(H,23,24,27)/t16-/m0/s1

>  <InChI Key>
BPBLWSKHFSKLGL-INIZCTEOSA-N

