
 SC-53116

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.2983   -1.7735    4.5016 C   0  0  0  0  0
    2.7427   -1.1910    3.2780 O   0  0  0  0  0
    2.1775    0.0172    2.9501 C   0  0  0  0  0
    1.8591    0.9753    3.9253 C   0  0  0  0  0
    1.3307    2.2233    3.5723 C   0  0  0  0  0
    1.0331    2.4634    2.2209 C   0  0  0  0  0
    1.3592    1.5291    1.2380 C   0  0  0  0  0
    1.9583    0.3104    1.5899 C   0  0  0  0  0
    2.3032   -0.6155    0.4644 C   0  0  0  0  0
    1.7641   -0.4866   -0.6299 O   0  0  0  0  0
    3.2530   -1.5726    0.7261 N   0  0  0  0  0
    3.6404   -2.5960   -0.2220 C   0  0  0  0  0
    2.6035   -3.7251   -0.3386 C   0  0  0  0  0
    2.3729   -4.4484    0.9894 C   0  0  0  0  0
    3.3247   -5.6406    0.9810 C   0  0  0  0  0
    3.9566   -5.6712   -0.3470 N   0  0  0  0  0
    3.1278   -4.8384   -1.2409 C   0  0  0  0  0
    2.0601   -5.7749   -1.8115 C   0  0  0  0  0
    2.5664   -7.1866   -1.5430 C   0  0  0  0  0
    3.9537   -7.0062   -0.9493 C   0  0  0  0  0
    0.3057    3.9551    1.7331 Cl  0  0  0  0  0
    0.9202    3.1015    4.5928 N   0  0  0  0  0
    2.7886   -1.2996    5.3572 H   0  0  0  0  0
    2.5942   -2.8271    4.4929 H   0  0  0  0  0
    1.2078   -1.7323    4.5970 H   0  0  0  0  0
    2.0345    0.7714    4.9769 H   0  0  0  0  0
    1.1529    1.7505    0.1925 H   0  0  0  0  0
    3.5882   -1.6574    1.6803 H   0  0  0  0  0
    4.6158   -2.9726    0.1044 H   0  0  0  0  0
    3.7766   -2.1195   -1.2000 H   0  0  0  0  0
    1.6601   -3.3103   -0.7125 H   0  0  0  0  0
    1.3385   -4.8122    1.0273 H   0  0  0  0  0
    2.5238   -3.8160    1.8686 H   0  0  0  0  0
    2.7715   -6.5547    1.2288 H   0  0  0  0  0
    4.1019   -5.5155    1.7427 H   0  0  0  0  0
    3.7385   -4.4435   -2.0622 H   0  0  0  0  0
    1.9445   -5.6071   -2.8882 H   0  0  0  0  0
    1.0758   -5.6315   -1.3522 H   0  0  0  0  0
    2.5916   -7.7908   -2.4553 H   0  0  0  0  0
    1.9029   -7.6872   -0.8284 H   0  0  0  0  0
    4.7032   -7.0304   -1.7497 H   0  0  0  0  0
    4.2176   -7.7998   -0.2416 H   0  0  0  0  0
    1.4916    3.0697    5.4310 H   0  0  0  0  0
    0.7803    4.0527    4.2539 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
SC-53116

>  <PubChem CID>
132337

>  <Formula>
C16H22ClN3O2

>  <Molecular Weight>
323.821000

>  <IUPAC Name>
4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NCC2CCN3C2CCC3)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)NC[C@@H]2CCN3[C@H]2CCC3)Cl)N

>  <InChI Std. ID>
InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1

>  <InChI Key>
GAYSOZKZPOVDSB-HZMBPMFUSA-N

