
 CHEMBL3950698

 66 70  0  0  0  0  0  0  0  0999 V2000
    2.3736    0.5954   -3.3283 C   0  0  0  0  0
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   11.6316   -4.8282    5.0003 C   0  0  0  0  0
   12.4773   -5.1971    5.7055 N   0  0  0  0  0
    9.9941   -1.7677    1.6949 F   0  0  0  0  0
    3.3727    0.8925   -3.6645 H   0  0  0  0  0
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    0.0094    1.0576   -1.9907 H   0  0  0  0  0
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    3.2708   -0.8012   -1.3422 H   0  0  0  0  0
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    7.3344    5.6262   -0.2977 H   0  0  0  0  0
    7.1365    4.3601    0.9199 H   0  0  0  0  0
    5.9693    4.4306   -1.9256 H   0  0  0  0  0
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    9.3305    6.1621    0.4100 H   0  0  0  0  0
   12.0278    5.8147   -1.0399 H   0  0  0  0  0
   11.5342    7.1829    0.0494 H   0  0  0  0  0
    9.6548    7.7531   -1.5326 H   0  0  0  0  0
   10.1555    6.3732   -2.6110 H   0  0  0  0  0
    4.1610   -1.2357    1.2181 H   0  0  0  0  0
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    9.1725   -5.8907    4.7504 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3950698

>  <PubChem CID>
118159302

>  <Formula>
C26H31FN6O2

>  <Molecular Weight>
478.572000

>  <IUPAC Name>
4-[1-[6-(cyclopropanecarbonyl)-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)C3CC3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)C#N)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)C3CC3)N=C1N4CCC(CC4)OC5=C(C=C(C=C5)C#N)F

>  <InChI Std. ID>
InChI=1S/C26H31FN6O2/c1-16(2)29-24-25(31-22-15-33(12-9-21(22)30-24)26(34)18-4-5-18)32-10-7-19(8-11-32)35-23-6-3-17(14-28)13-20(23)27/h3,6,13,16,18-19H,4-5,7-12,15H2,1-2H3,(H,29,30)

>  <InChI Key>
AUPDVTRYLMDISN-UHFFFAOYSA-N

