
 SCHEMBL16818235

 59 63  0  0  0  0  0  0  0  0999 V2000
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    7.1496    2.3728   -0.1537 N   0  0  0  0  0
    8.4339    1.9425   -0.2917 C   0  0  0  0  0
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    9.4389    2.9313   -0.5363 N   0  0  0  0  0
   10.5787    2.8776    0.3955 C   0  0  0  0  0
   11.6478    3.8855   -0.0460 C   0  0  0  0  0
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   11.4373    8.3914    0.7439 C   0  0  0  0  0
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    9.9515   10.1475    1.4081 C   0  0  0  0  0
    9.0633    9.2146    1.9303 C   0  0  0  0  0
    9.3681    7.8540    1.8525 C   0  0  0  0  0
    9.6617   11.4520    1.4937 F   0  0  0  0  0
   12.6026    8.0173    0.2002 F   0  0  0  0  0
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    2.1667    2.3350   -0.2627 H   0  0  0  0  0
    2.3236    1.6321    1.3622 H   0  0  0  0  0
    3.2429   -1.0644    0.4964 H   0  0  0  0  0
    4.1069   -0.1327    1.7236 H   0  0  0  0  0
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    4.6744    2.2977    1.2257 H   0  0  0  0  0
    4.5941    2.7924   -0.4751 H   0  0  0  0  0
   10.4140    0.5298   -1.2557 H   0  0  0  0  0
    9.4857   -1.9667    0.1104 H   0  0  0  0  0
   11.6469   -1.5300   -2.0968 H   0  0  0  0  0
   10.9368   -3.1180   -1.5588 H   0  0  0  0  0
   11.7363   -2.6748    0.7914 H   0  0  0  0  0
   12.4354   -1.0822    0.2579 H   0  0  0  0  0
   11.0779    1.9071    0.4041 H   0  0  0  0  0
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    9.4038    6.3139   -1.0701 H   0  0  0  0  0
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    8.3824    4.5733    0.3322 H   0  0  0  0  0
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   11.8287   10.4849    0.4155 H   0  0  0  0  0
    8.1458    9.5504    2.4040 H   0  0  0  0  0
    8.6752    7.1279    2.2785 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL16818235

>  <PubChem CID>
118159251

>  <Formula>
C23H28F3N5

>  <Molecular Weight>
431.507000

>  <IUPAC Name>
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN1CCC2=C(C1)N=C(C(=N2)NC3CC3)N4CCC(CC4)C(C5=C(C=C(C=C5)F)F)F

>  <Isomeric SMILES>
CN1CCC2=C(C1)N=C(C(=N2)NC3CC3)N4CCC(CC4)[C@H](C5=C(C=C(C=C5)F)F)F

>  <InChI Std. ID>
InChI=1S/C23H28F3N5/c1-30-9-8-19-20(13-30)29-23(22(28-19)27-16-3-4-16)31-10-6-14(7-11-31)21(26)17-5-2-15(24)12-18(17)25/h2,5,12,14,16,21H,3-4,6-11,13H2,1H3,(H,27,28)/t21-/m1/s1

>  <InChI Key>
GZJWUTGKWXOMFU-OAQYLSRUSA-N

