
 CHEMBL3641755

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.3005    1.0629   -0.6759 C   0  0  0  0  0
    0.0152    1.5236    0.0243 C   0  0  0  0  0
   -1.0977    0.6653   -0.2650 O   0  0  0  0  0
   -0.8312   -0.7195    0.0575 C   0  0  0  0  0
    0.4724   -1.1713   -0.6610 C   0  0  0  0  0
    1.6469   -0.3307   -0.3421 N   0  0  0  0  0
   -0.9307   -0.9766    1.5600 C   0  0  0  0  0
   -0.2344   -2.0129    2.1961 C   0  0  0  0  0
   -0.3883   -2.2541    3.5692 C   0  0  0  0  0
   -1.2458   -1.4712    4.3458 C   0  0  0  0  0
   -1.9694   -0.4593    3.7107 C   0  0  0  0  0
   -1.8194   -0.2187    2.3403 C   0  0  0  0  0
   -1.4607   -1.6909    5.7207 N   0  0  0  0  0
   -0.6543   -2.3725    6.6373 C   0  0  0  0  0
    0.7378   -2.2347    6.6731 C   0  0  0  0  0
    1.5412   -2.8702    7.5657 N   0  0  0  0  0
    0.8879   -3.6484    8.4499 C   0  0  0  0  0
   -0.4898   -3.7848    8.4457 C   0  0  0  0  0
   -1.2865   -3.1478    7.5473 N   0  0  0  0  0
    1.8746   -4.4598    9.5871 Cl  0  0  0  0  0
    1.1796    1.1448   -1.7629 H   0  0  0  0  0
    2.1315    1.7175   -0.3934 H   0  0  0  0  0
   -0.2509    2.5273   -0.3231 H   0  0  0  0  0
    0.1617    1.5846    1.1084 H   0  0  0  0  0
   -1.6558   -1.2886   -0.3911 H   0  0  0  0  0
    0.7113   -2.2174   -0.4467 H   0  0  0  0  0
    0.3108   -1.1172   -1.7460 H   0  0  0  0  0
    1.8092   -0.3837    0.6652 H   0  0  0  0  0
    0.4292   -2.6726    1.6427 H   0  0  0  0  0
    0.1510   -3.0912    4.0055 H   0  0  0  0  0
   -2.6566    0.1607    4.2823 H   0  0  0  0  0
   -2.4076    0.5755    1.8819 H   0  0  0  0  0
   -2.4268   -1.9486    5.9107 H   0  0  0  0  0
    1.2520   -1.5805    5.9765 H   0  0  0  0  0
   -1.0015   -4.4123    9.1665 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641755

>  <PubChem CID>
86766845

>  <Formula>
C14H15ClN4O

>  <Molecular Weight>
290.751000

>  <IUPAC Name>
5-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazin-2-amine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=CN=C(C=N3)Cl

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=CN=C(C=N3)Cl

>  <InChI Std. ID>
InChI=1S/C14H15ClN4O/c15-13-8-18-14(9-17-13)19-11-3-1-10(2-4-11)12-7-16-5-6-20-12/h1-4,8-9,12,16H,5-7H2,(H,18,19)/t12-/m0/s1

>  <InChI Key>
ATWQTXOBMPMHMO-LBPRGKRZSA-N

