
 CHEMBL3943478

 66 70  0  0  0  0  0  0  0  0999 V2000
    1.3489    0.3593    1.2978 C   0  0  0  0  0
    2.2788    0.2507    0.1164 C   0  0  0  0  0
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    3.8824    4.8253   -2.2984 N   0  0  0  0  0
    3.9142    7.2260   -2.4126 N   0  0  0  0  0
    2.5613    7.6947   -2.7500 C   0  0  0  0  0
    2.6860    9.0981   -3.3332 C   0  0  0  0  0
    3.5719    9.1036   -4.5903 C   0  0  0  0  0
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   -0.6449    9.3856   -7.4503 C   0  0  0  0  0
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    1.8195   11.0438   -5.3860 F   0  0  0  0  0
    3.7059    7.3352    0.4097 N   0  0  0  0  0
    3.4240    7.5132    1.7943 C   0  0  0  0  0
    4.6078    7.0886    2.6968 C   0  0  0  0  0
    4.3329    8.3542    3.5314 C   0  0  0  0  0
    3.6862    8.9616    2.2690 C   0  0  0  0  0
    0.5938    1.1282    1.1085 H   0  0  0  0  0
    1.9095    0.5834    2.2079 H   0  0  0  0  0
    0.8341   -0.5966    1.4437 H   0  0  0  0  0
    3.9998    0.2962   -1.7741 H   0  0  0  0  0
    5.0606    1.3498   -0.8365 H   0  0  0  0  0
    2.8022    2.2218   -2.7352 H   0  0  0  0  0
    4.5443    2.4121   -3.0113 H   0  0  0  0  0
    3.9935    2.4239    1.3671 H   0  0  0  0  0
    2.2473    2.6915    1.2194 H   0  0  0  0  0
    1.9196    7.7494   -1.8619 H   0  0  0  0  0
    2.0717    7.0178   -3.4637 H   0  0  0  0  0
    1.6787    9.4702   -3.5389 H   0  0  0  0  0
    3.1278    9.7673   -2.5840 H   0  0  0  0  0
    3.7862   10.1266   -4.9203 H   0  0  0  0  0
    5.5100    8.3196   -5.1921 H   0  0  0  0  0
    5.4944    9.0919   -3.5981 H   0  0  0  0  0
    4.2962    6.3687   -4.3333 H   0  0  0  0  0
    5.7377    6.6810   -3.3440 H   0  0  0  0  0
   -0.4441   11.3266   -6.5341 H   0  0  0  0  0
   -0.4760    7.3976   -8.3035 H   0  0  0  0  0
    1.6797    6.9120   -7.2451 H   0  0  0  0  0
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    5.5905    7.0954    2.2072 H   0  0  0  0  0
    4.4850    6.1401    3.2271 H   0  0  0  0  0
    3.6294    8.1937    4.3565 H   0  0  0  0  0
    5.2164    8.8753    3.9095 H   0  0  0  0  0
    2.7938    9.5682    2.4492 H   0  0  0  0  0
    4.3865    9.5358    1.6520 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
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  2  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3943478

>  <PubChem CID>
118159377

>  <Formula>
C25H32FN5O3

>  <Molecular Weight>
469.561000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)OC)F)NC5CCC5

>  <Isomeric SMILES>
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)OC)F)NC5CCC5

>  <InChI Std. ID>
InChI=1S/C25H32FN5O3/c1-16(32)31-13-10-21-22(15-31)28-24(27-17-4-3-5-17)25(29-21)30-11-8-18(9-12-30)34-23-7-6-19(33-2)14-20(23)26/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,27,28)

>  <InChI Key>
FWBUWGUMMSYEGD-UHFFFAOYSA-N

