
 SCHEMBL14152787

 44 47  0  0  0  0  0  0  0  0999 V2000
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    2.8060   -1.9885    1.0797 C   0  0  0  0  0
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    0.5855   -2.7706    0.6651 C   0  0  0  0  0
    1.1595   -4.2038    0.4962 C   0  0  0  0  0
    2.4132   -4.4489    1.2428 N   0  0  0  0  0
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   -0.3283   -3.3171    3.0240 C   0  0  0  0  0
   -1.0010   -2.9176    4.1913 C   0  0  0  0  0
   -1.4847   -1.6132    4.3305 C   0  0  0  0  0
   -1.2495   -0.7059    3.2978 C   0  0  0  0  0
   -0.5666   -1.0991    2.1426 C   0  0  0  0  0
   -2.1829   -1.2831    5.5092 N   0  0  0  0  0
   -2.8875   -0.1191    5.7599 C   0  0  0  0  0
   -3.0658    0.8031    4.9711 O   0  0  0  0  0
   -3.4563   -0.0540    7.1208 C   0  0  0  0  0
   -3.2969   -1.0220    8.0499 N   0  0  0  0  0
   -3.8978   -0.5157    9.1708 N   0  0  0  0  0
   -4.4799    0.7075    8.9323 C   0  0  0  0  0
   -4.2191    1.0277    7.6276 C   0  0  0  0  0
   -3.8836   -1.1793   10.4289 C   0  0  0  0  0
   -3.3402   -2.4549   10.5307 C   0  0  0  0  0
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    1.3775   -4.3654   -0.5681 H   0  0  0  0  0
    2.2176   -4.3499    2.2391 H   0  0  0  0  0
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   -4.5089    1.9267    7.0996 H   0  0  0  0  0
   -2.9389   -2.9873    9.6743 H   0  0  0  0  0
   -4.7054   -0.6922   13.5634 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14152787

>  <PubChem CID>
89262448

>  <Formula>
C18H17ClN6O2

>  <Molecular Weight>
384.824000

>  <IUPAC Name>
1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CN=C(C=N4)Cl

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CN=C(C=N4)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m1/s1

>  <InChI Key>
ATQWQGDZEKQJHT-OAHLLOKOSA-N

