
 CHEMBL3973483

 61 64  0  0  0  0  0  0  0  0999 V2000
    1.3535    1.6408   -0.8802 C   0  0  0  0  0
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   11.9263   -6.6848   -2.1055 F   0  0  0  0  0
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    1.0107    0.9349   -1.6445 H   0  0  0  0  0
    2.2537    1.6451    1.0817 H   0  0  0  0  0
    0.5138   -0.7329    0.2699 H   0  0  0  0  0
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    8.6952    1.9693    0.4154 H   0  0  0  0  0
    8.7767    1.8174   -1.3470 H   0  0  0  0  0
    9.2293    4.1484   -0.5529 H   0  0  0  0  0
    7.8389    4.0854   -1.6397 H   0  0  0  0  0
    5.3740    4.5461   -0.3205 H   0  0  0  0  0
    5.5309    4.0564    1.3768 H   0  0  0  0  0
    5.7929    6.4787    1.3224 H   0  0  0  0  0
    7.1501    7.2180    2.1846 H   0  0  0  0  0
    6.5576    5.6334    2.7125 H   0  0  0  0  0
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    9.5675   -7.7598   -2.1606 H   0  0  0  0  0
    7.4904   -6.6815   -1.3741 H   0  0  0  0  0
  1  2  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3973483

>  <PubChem CID>
91810771

>  <Formula>
C23H29F2N5O2

>  <Molecular Weight>
445.515000

>  <IUPAC Name>
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-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(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)

>  <InChI Key>
FSUXDPIOBQLEKO-UHFFFAOYSA-N

