
 CHEMBL3641756

 35 37  0  0  0  0  0  0  0  0999 V2000
   -3.2134   -0.6681   -1.4857 C   0  0  0  0  0
   -2.7975   -1.9695   -0.7871 C   0  0  0  0  0
   -1.3778   -2.0392   -0.5956 O   0  0  0  0  0
   -0.8692   -0.9119    0.1534 C   0  0  0  0  0
   -1.3168    0.4158   -0.5206 C   0  0  0  0  0
   -2.7761    0.5257   -0.7390 N   0  0  0  0  0
   -1.1457   -1.0952    1.6412 C   0  0  0  0  0
   -0.8383   -2.3304    2.2357 C   0  0  0  0  0
   -1.0562   -2.5601    3.6001 C   0  0  0  0  0
   -1.5900   -1.5634    4.4174 C   0  0  0  0  0
   -1.8744   -0.3226    3.8309 C   0  0  0  0  0
   -1.6548   -0.0878    2.4670 C   0  0  0  0  0
   -1.8217   -1.7131    5.7967 N   0  0  0  0  0
   -1.4858   -2.7375    6.6855 C   0  0  0  0  0
   -0.2676   -3.4215    6.6540 C   0  0  0  0  0
    0.0636   -4.4173    7.5187 N   0  0  0  0  0
   -0.8800   -4.6949    8.4465 C   0  0  0  0  0
   -2.0769   -4.0033    8.5033 C   0  0  0  0  0
   -2.4018   -3.0142    7.6406 N   0  0  0  0  0
   -3.2640   -4.3533    9.6868 Cl  0  0  0  0  0
   -2.7799   -0.6322   -2.4924 H   0  0  0  0  0
   -4.3021   -0.6394   -1.5999 H   0  0  0  0  0
   -3.0855   -2.8255   -1.4060 H   0  0  0  0  0
   -3.3064   -2.0800    0.1775 H   0  0  0  0  0
    0.2231   -0.9573    0.0505 H   0  0  0  0  0
   -0.9687    1.2839    0.0490 H   0  0  0  0  0
   -0.8340    0.4843   -1.5044 H   0  0  0  0  0
   -3.2395    0.5108    0.1700 H   0  0  0  0  0
   -0.4320   -3.1368    1.6252 H   0  0  0  0  0
   -0.8327   -3.5500    3.9856 H   0  0  0  0  0
   -2.2663    0.4878    4.4426 H   0  0  0  0  0
   -1.8886    0.9006    2.0815 H   0  0  0  0  0
   -2.7217   -1.3340    6.0790 H   0  0  0  0  0
    0.5035   -3.1674    5.9341 H   0  0  0  0  0
   -0.6422   -5.4880    9.1457 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 19  1  0  0  0
 14 15  2  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 35  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641756

>  <PubChem CID>
86766846

>  <Formula>
C14H15ClN4O

>  <Molecular Weight>
290.751000

>  <IUPAC Name>
6-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=CC(=N3)Cl

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

>  <InChI Std. ID>
InChI=1S/C14H15ClN4O/c15-13-8-17-9-14(19-13)18-11-3-1-10(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>
AMJLTHCNOFPOCQ-LBPRGKRZSA-N

