
 CHEMBL3947839

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.1999    0.5129    0.5114 C   0  0  0  0  0
   -1.5479    1.2070    0.7633 C   0  0  0  0  0
   -2.1477    1.5164   -0.5503 N   0  0  0  0  0
   -1.5736    0.5488   -1.4042 C   0  0  0  0  0
   -1.9664    0.1946   -2.6857 C   0  0  0  0  0
   -1.2265   -0.7596   -3.3913 C   0  0  0  0  0
   -0.0973   -1.3556   -2.8147 C   0  0  0  0  0
    0.3047   -1.0001   -1.5275 C   0  0  0  0  0
   -0.4423   -0.0554   -0.8439 C   0  0  0  0  0
   -3.6022    1.7037   -0.6360 C   0  0  0  0  0
   -4.0748    2.8954    0.2326 C   0  0  0  0  0
   -5.5314    3.1617    0.1970 N   0  0  0  0  0
   -5.8886    4.2830    1.0992 C   0  0  0  0  0
   -5.5019    5.6765    0.5648 C   0  0  0  0  0
   -6.0211    5.9077   -0.7533 O   0  0  0  0  0
   -5.5753    4.8814   -1.6597 C   0  0  0  0  0
   -6.0392    3.4963   -1.1554 C   0  0  0  0  0
   -6.1349    5.1767   -3.0606 C   0  0  0  0  0
   -5.7059    4.2227   -4.0403 O   0  0  0  0  0
   -4.3864    4.2551   -4.3874 C   0  0  0  0  0
   -3.5681    5.3767   -4.4185 C   0  0  0  0  0
   -2.2481    5.3470   -4.7289 N   0  0  0  0  0
   -1.7266    4.1419   -5.0418 C   0  0  0  0  0
   -2.4681    2.9740   -5.0827 C   0  0  0  0  0
   -3.8223    3.0386   -4.7586 C   0  0  0  0  0
    0.6194    1.2368    0.4756 H   0  0  0  0  0
    0.0034   -0.2527    1.2647 H   0  0  0  0  0
   -1.4092    2.1188    1.3562 H   0  0  0  0  0
   -2.2103    0.5370    1.3287 H   0  0  0  0  0
   -2.8290    0.6503   -3.1546 H   0  0  0  0  0
   -1.5261   -1.0368   -4.3990 H   0  0  0  0  0
    0.4701   -2.0928   -3.3763 H   0  0  0  0  0
    1.1826   -1.4519   -1.0777 H   0  0  0  0  0
   -4.1245    0.7880   -0.3330 H   0  0  0  0  0
   -3.8631    1.9153   -1.6763 H   0  0  0  0  0
   -3.4931    3.7833   -0.0421 H   0  0  0  0  0
   -3.8103    2.6710    1.2741 H   0  0  0  0  0
   -5.4598    4.1285    2.0963 H   0  0  0  0  0
   -6.9784    4.2578    1.2316 H   0  0  0  0  0
   -5.9200    6.4479    1.2199 H   0  0  0  0  0
   -4.4151    5.8158    0.5508 H   0  0  0  0  0
   -4.4809    4.9158   -1.7045 H   0  0  0  0  0
   -7.1361    3.4966   -1.0924 H   0  0  0  0  0
   -5.7961    2.7055   -1.8699 H   0  0  0  0  0
   -5.9232    6.2053   -3.3747 H   0  0  0  0  0
   -7.2300    5.1211   -3.0245 H   0  0  0  0  0
   -3.9376    6.3701   -4.1927 H   0  0  0  0  0
   -0.6649    4.1384   -5.2670 H   0  0  0  0  0
   -1.9980    2.0323   -5.3458 H   0  0  0  0  0
   -4.4270    2.1362   -4.7692 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  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 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3947839

>  <PubChem CID>
71062532

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m0/s1

>  <InChI Key>
NVTIHTIPOLNIHA-IBGZPJMESA-N

