
 CHEMBL3951645

 71 75  0  0  0  0  0  0  0  0999 V2000
    5.3035   -2.3723    0.4765 C   0  0  0  0  0
    4.7434   -1.0854    0.1062 N   0  0  0  0  0
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   10.5155    5.6205   -4.3675 C   0  0  0  0  0
    5.0431   -3.0997   -0.2971 H   0  0  0  0  0
    4.8679   -2.7164    1.4207 H   0  0  0  0  0
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    2.9960    0.1131    0.3948 H   0  0  0  0  0
    3.8127   -0.4694    1.8619 H   0  0  0  0  0
    6.4789   -2.4013   -1.7066 H   0  0  0  0  0
    7.8594   -1.6862   -0.8377 H   0  0  0  0  0
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    8.6032   -2.4958   -3.0073 H   0  0  0  0  0
    6.9825    1.7025   -1.2910 H   0  0  0  0  0
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   12.9210    1.6970   -3.2604 H   0  0  0  0  0
   12.9423    2.4305   -4.8833 H   0  0  0  0  0
   19.2105    0.5533   -2.6454 H   0  0  0  0  0
   17.0823    0.7699    1.0979 H   0  0  0  0  0
   14.9954    0.1590   -0.0747 H   0  0  0  0  0
   21.3702    1.5215    0.1523 H   0  0  0  0  0
   20.5568    2.0206   -1.3357 H   0  0  0  0  0
   20.9574    0.2835   -1.0413 H   0  0  0  0  0
   10.8276    3.1613   -4.9520 H   0  0  0  0  0
    9.1807    4.3889   -3.1070 H   0  0  0  0  0
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   10.7063    5.6844   -1.6638 H   0  0  0  0  0
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   12.6968    5.4076   -4.0293 H   0  0  0  0  0
    9.7802    6.4286   -4.2672 H   0  0  0  0  0
   10.6388    5.3991   -5.4310 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3951645

>  <PubChem CID>
118159324

>  <Formula>
C26H35FN6O3

>  <Molecular Weight>
498.603000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C26H35FN6O3/c1-31(2)26(34)33-14-11-21-22(16-33)29-24(28-17-5-4-6-17)25(30-21)32-12-9-18(10-13-32)36-23-8-7-19(35-3)15-20(23)27/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H,28,29)

>  <InChI Key>
GENCHWDTLHDGDV-UHFFFAOYSA-N

