
 CHEMBL3717716

 59 62  0  0  0  0  0  0  0  0999 V2000
   -0.7760    0.8012    2.0586 C   0  0  0  0  0
   -0.5263    1.1214    0.6133 C   0  0  0  0  0
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    6.8911    1.3128    0.5299 N   0  0  0  0  0
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    4.5522   -2.1012    0.6300 N   0  0  0  0  0
    3.2227   -1.9843    0.8605 C   0  0  0  0  0
    2.4260   -3.1641    0.9642 N   0  0  0  0  0
    2.2952   -3.5140    2.4001 C   0  0  0  0  0
    1.5501   -4.8577    2.5693 C   0  0  0  0  0
    2.1339   -6.0019    1.8269 N   0  0  0  0  0
    2.2372   -5.5965    0.4004 C   0  0  0  0  0
    2.9967   -4.2681    0.1538 C   0  0  0  0  0
    3.4571   -6.4055    2.3428 C   0  0  0  0  0
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    4.2031   -6.2376    4.7500 C   0  0  0  0  0
    4.1978   -6.6575    6.0791 C   0  0  0  0  0
    3.4136   -7.7486    6.4493 C   0  0  0  0  0
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    2.6539   -7.9845    4.1589 C   0  0  0  0  0
    1.8980   -9.4491    5.8473 F   0  0  0  0  0
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    1.8341    1.9826   -2.4028 C   0  0  0  0  0
    1.4333    1.9002   -3.5604 O   0  0  0  0  0
    2.0288    3.2900   -1.6287 C   0  0  0  0  0
    2.8927    4.1460   -2.2382 F   0  0  0  0  0
    0.8658    3.9692   -1.4381 F   0  0  0  0  0
    2.5402    3.0570   -0.3837 F   0  0  0  0  0
    2.1434    0.8647   -1.6842 O   0  0  0  0  0
   -0.9851    1.6226    2.7345 H   0  0  0  0  0
   -1.2973   -0.1159    2.3013 H   0  0  0  0  0
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   -0.8963    0.4219   -0.1276 H   0  0  0  0  0
    1.2928    1.4817    1.8456 H   0  0  0  0  0
    0.7476   -1.3512    0.8719 H   0  0  0  0  0
    7.1294   -2.0437    0.3348 H   0  0  0  0  0
    8.4977    0.0423    0.2911 H   0  0  0  0  0
    5.1492    2.3836    0.7959 H   0  0  0  0  0
    1.7194   -2.7451    2.9297 H   0  0  0  0  0
    3.2808   -3.5742    2.8799 H   0  0  0  0  0
    1.4561   -5.0938    3.6356 H   0  0  0  0  0
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    2.9145   -4.0134   -0.9101 H   0  0  0  0  0
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    2.0406   -8.5088    3.4320 H   0  0  0  0  0
    2.4315    1.0586   -0.7560 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  5 14  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3717716

>  <PubChem CID>
127024455

>  <Formula>
C23H23F5N6O2

>  <Molecular Weight>
510.469000

>  <IUPAC Name>
N-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
C1CC1NC2=NC3=C(C=CN=C3)N=C2N4CCN(CC4)CC5=C(C=CC(=C5)F)F.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CC1NC2=NC3=C(C=CN=C3)N=C2N4CCN(CC4)CC5=C(C=CC(=C5)F)F.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C21H22F2N6.C2HF3O2/c22-15-1-4-17(23)14(11-15)13-28-7-9-29(10-8-28)21-20(25-16-2-3-16)26-19-12-24-6-5-18(19)27-21;3-2(4,5)1(6)7/h1,4-6,11-12,16H,2-3,7-10,13H2,(H,25,26);(H,6,7)

>  <InChI Key>
BCVMQJIPHSKTDB-UHFFFAOYSA-N

