
 CHEMBL26393

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.2646    1.4208    0.7121 C   0  0  0  0  0
    1.8610    0.8165   -0.5658 C   0  0  0  0  0
    1.2672   -0.5889   -0.8555 C   0  0  0  0  0
    1.5688   -1.6237    0.1901 C   0  0  0  0  0
    2.6663   -2.4626    0.2295 C   0  0  0  0  0
    2.5648   -3.2606    1.3382 N   0  0  0  0  0
    1.4183   -2.9603    2.0370 C   0  0  0  0  0
    0.9176   -3.5012    3.2282 C   0  0  0  0  0
   -0.2894   -2.9916    3.7169 C   0  0  0  0  0
   -0.9729   -1.9902    3.0336 C   0  0  0  0  0
   -0.4643   -1.4692    1.8394 C   0  0  0  0  0
    0.7611   -1.9518    1.3318 C   0  0  0  0  0
    1.5926    1.6883   -1.7366 N   0  0  0  0  0
    2.2919    2.9912   -1.6658 C   0  0  0  0  0
    1.9725    3.8696   -2.9053 C   0  0  0  0  0
    2.7599    3.4801   -4.1393 C   0  0  0  0  0
    4.0545    3.9926   -4.3265 C   0  0  0  0  0
    4.7978    3.6398   -5.4533 C   0  0  0  0  0
    4.2713    2.7702   -6.4046 C   0  0  0  0  0
    2.9896    2.2516   -6.2297 C   0  0  0  0  0
    2.2395    2.6042   -5.1056 C   0  0  0  0  0
    6.3785    4.2855   -5.6681 Cl  0  0  0  0  0
    0.5663    3.8223   -3.1724 O   0  0  0  0  0
    1.7053    2.3925    0.9533 H   0  0  0  0  0
    1.4613    0.7875    1.5820 H   0  0  0  0  0
    0.1804    1.5532    0.6210 H   0  0  0  0  0
    2.9461    0.7135   -0.4366 H   0  0  0  0  0
    1.6657   -0.9560   -1.8122 H   0  0  0  0  0
    0.1802   -0.5158   -0.9926 H   0  0  0  0  0
    3.5104   -2.5619   -0.4400 H   0  0  0  0  0
    3.2305   -3.9687    1.6120 H   0  0  0  0  0
    1.4454   -4.2849    3.7617 H   0  0  0  0  0
   -0.6992   -3.3839    4.6441 H   0  0  0  0  0
   -1.9092   -1.6058    3.4299 H   0  0  0  0  0
   -1.0055   -0.6860    1.3173 H   0  0  0  0  0
    1.9253    1.2065   -2.5765 H   0  0  0  0  0
    3.3729    2.8555   -1.5477 H   0  0  0  0  0
    1.9154    3.5435   -0.7986 H   0  0  0  0  0
    2.2013    4.9151   -2.6660 H   0  0  0  0  0
    4.4811    4.6776   -3.5975 H   0  0  0  0  0
    4.8487    2.4987   -7.2841 H   0  0  0  0  0
    2.5679    1.5791   -6.9729 H   0  0  0  0  0
    1.2336    2.2025   -4.9939 H   0  0  0  0  0
    0.2398    3.0588   -2.6539 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL26393

>  <PubChem CID>
9927453

>  <Formula>
C19H21ClN2O

>  <Molecular Weight>
328.840000

>  <IUPAC Name>
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CNC2=CC=CC=C21)NCC(C3=CC(=CC=C3)Cl)O

>  <Isomeric SMILES>
C[C@H](CC1=CNC2=CC=CC=C21)NC[C@@H](C3=CC(=CC=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19+/m1/s1

>  <InChI Key>
AGWBMRMDTWHPJM-YJYMSZOUSA-N

