
 CHEMBL3940225

 61 64  0  0  0  0  0  0  0  0999 V2000
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    8.1015   -2.3381   -8.2412 C   0  0  0  0  0
   11.3432   -0.8414   -7.5692 F   0  0  0  0  0
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    0.5167    0.2202    0.7064 H   0  0  0  0  0
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    0.2736    0.1571   -1.0415 H   0  0  0  0  0
    2.7650   -0.8840    0.4290 H   0  0  0  0  0
    4.7386    0.8589   -2.4299 H   0  0  0  0  0
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    3.3241    2.6958   -1.6473 H   0  0  0  0  0
    1.8486    1.8300   -2.0608 H   0  0  0  0  0
    2.6744    3.7185    0.2998 H   0  0  0  0  0
    4.4011    3.2097    0.2728 H   0  0  0  0  0
    3.5596    3.4573    1.8106 H   0  0  0  0  0
    1.7190   -4.7100   -3.7612 H   0  0  0  0  0
    2.1000   -4.8495   -0.7852 H   0  0  0  0  0
    1.5473   -6.1603   -1.7952 H   0  0  0  0  0
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    7.6812   -3.0930   -8.8967 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 37  1  0  0  0
  2  7  1  0  0  0
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  3 14  1  0  0  0
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  5  6  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3940225

>  <PubChem CID>
118159119

>  <Formula>
C23H27F4N5O2

>  <Molecular Weight>
481.496000

>  <IUPAC Name>
1-[3-(2,2-difluoroethylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1C2=C(CCN1C(=O)C)N=C(C(=N2)NCC(F)F)N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
CC1C2=C(CCN1C(=O)C)N=C(C(=N2)NCC(F)F)N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C23H27F4N5O2/c1-13-21-18(7-10-32(13)14(2)33)29-23(22(30-21)28-12-20(26)27)31-8-5-16(6-9-31)34-19-4-3-15(24)11-17(19)25/h3-4,11,13,16,20H,5-10,12H2,1-2H3,(H,28,30)

>  <InChI Key>
DEVKCOJYOBVAJW-UHFFFAOYSA-N

