
 CHEMBL3963122

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.1495    2.3990    2.1227 C   0  0  0  0  0
   -1.1841    2.7691    1.4549 C   0  0  0  0  0
   -2.2580    2.0530    2.1734 N   0  0  0  0  0
   -1.7175    1.8943    3.4708 C   0  0  0  0  0
   -2.3807    1.5554    4.6399 C   0  0  0  0  0
   -1.6444    1.4296    5.8256 C   0  0  0  0  0
   -0.2564    1.6254    5.8336 C   0  0  0  0  0
    0.4163    1.9501    4.6566 C   0  0  0  0  0
   -0.3312    2.0853    3.4966 C   0  0  0  0  0
   -3.6455    2.5318    2.0811 C   0  0  0  0  0
   -4.0701    2.7993    0.6137 C   0  0  0  0  0
   -5.5008    3.1001    0.3838 N   0  0  0  0  0
   -6.0150    4.2416    1.1698 C   0  0  0  0  0
   -5.5013    5.6083    0.6921 C   0  0  0  0  0
   -5.7888    5.8215   -0.6949 O   0  0  0  0  0
   -5.2342    4.7688   -1.5088 C   0  0  0  0  0
   -5.7651    3.3880   -1.0548 C   0  0  0  0  0
   -5.5254    5.0859   -2.9838 C   0  0  0  0  0
   -6.9230    5.0043   -3.2795 O   0  0  0  0  0
   -7.3339    5.6032   -4.4395 C   0  0  0  0  0
   -8.7116    5.6214   -4.6555 C   0  0  0  0  0
   -9.2219    6.2304   -5.7985 C   0  0  0  0  0
   -8.3353    6.8030   -6.6977 C   0  0  0  0  0
   -6.9921    6.7936   -6.5336 N   0  0  0  0  0
   -6.5263    6.1910   -5.4104 C   0  0  0  0  0
  -10.9134    6.2733   -6.0870 Cl  0  0  0  0  0
    0.5907    1.5082    1.6639 H   0  0  0  0  0
    0.8586    3.2306    2.0930 H   0  0  0  0  0
   -1.1734    2.5023    0.3926 H   0  0  0  0  0
   -1.3447    3.8538    1.5294 H   0  0  0  0  0
   -3.4488    1.3772    4.6517 H   0  0  0  0  0
   -2.1548    1.1665    6.7490 H   0  0  0  0  0
    0.2998    1.5139    6.7613 H   0  0  0  0  0
    1.4913    2.0898    4.6522 H   0  0  0  0  0
   -3.7507    3.4520    2.6687 H   0  0  0  0  0
   -4.3187    1.7756    2.5030 H   0  0  0  0  0
   -3.8194    1.9038    0.0297 H   0  0  0  0  0
   -3.4398    3.6055    0.2248 H   0  0  0  0  0
   -5.8183    4.1121    2.2386 H   0  0  0  0  0
   -7.1090    4.2340    1.0728 H   0  0  0  0  0
   -5.9993    6.4047    1.2544 H   0  0  0  0  0
   -4.4233    5.7149    0.8566 H   0  0  0  0  0
   -4.1442    4.8100   -1.3977 H   0  0  0  0  0
   -6.8531    3.3499   -1.1961 H   0  0  0  0  0
   -5.3463    2.5901   -1.6798 H   0  0  0  0  0
   -4.9886    4.3775   -3.6259 H   0  0  0  0  0
   -5.1607    6.1040   -3.1660 H   0  0  0  0  0
   -9.3790    5.1681   -3.9282 H   0  0  0  0  0
   -8.6846    7.2974   -7.5997 H   0  0  0  0  0
   -5.4443    6.2095   -5.3360 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
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 16 18  1  0  0  0
 16 43  1  0  0  0
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 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3963122

>  <PubChem CID>
71086428

>  <Formula>
C20H24ClN3O2

>  <Molecular Weight>
373.881000

>  <IUPAC Name>
(2S)-2-[(5-chloropyridin-3-yl)oxymethyl]-4-[2-(2,3-dihydroindol-1-yl)ethyl]morpholine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)CCN3CCOC(C3)COC4=CC(=CN=C4)Cl

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)CCN3CCO[C@@H](C3)COC4=CC(=CN=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H24ClN3O2/c21-17-11-18(13-22-12-17)26-15-19-14-23(9-10-25-19)7-8-24-6-5-16-3-1-2-4-20(16)24/h1-4,11-13,19H,5-10,14-15H2/t19-/m0/s1

>  <InChI Key>
QURJBQQAYVMKHZ-IBGZPJMESA-N

