
 CHEMBL3912855

 63 66  0  0  0  0  0  0  0  0999 V2000
    1.7819    1.1398   -1.7828 C   0  0  0  0  0
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    6.8420   -6.3838    3.4371 F   0  0  0  0  0
    2.6488    1.4761   -2.3601 H   0  0  0  0  0
    0.9482    1.8141   -2.0066 H   0  0  0  0  0
    1.5125    0.1398   -2.1420 H   0  0  0  0  0
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    5.3184    4.5815    0.0278 H   0  0  0  0  0
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   10.7518    5.7849   -1.8428 H   0  0  0  0  0
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    6.5011   -6.7465    5.9708 H   0  0  0  0  0
  1  2  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3912855

>  <PubChem CID>
118159336

>  <Formula>
C23H30FN5O3S

>  <Molecular Weight>
475.583000

>  <IUPAC Name>
1-[3-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)C)N=C1N3CCC(CC3)S(=O)(=O)C4=CC=CC=C4F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)C)N=C1N3CCC(CC3)S(=O)(=O)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C23H30FN5O3S/c1-15(2)25-22-23(27-20-14-29(16(3)30)13-10-19(20)26-22)28-11-8-17(9-12-28)33(31,32)21-7-5-4-6-18(21)24/h4-7,15,17H,8-14H2,1-3H3,(H,25,26)

>  <InChI Key>
AITZOYIAARKTBL-UHFFFAOYSA-N

