
 CHEMBL1934125

 62 67  0  0  0  0  0  0  0  0999 V2000
    0.5108    3.3217    0.3054 C   0  0  0  0  0
    1.6319    2.5675    0.9660 C   0  0  0  0  0
    1.6964    2.4079    2.1823 O   0  0  0  0  0
    2.5890    2.0933    0.1095 N   0  0  0  0  0
    3.7412    1.3480    0.5841 C   0  0  0  0  0
    4.8457    2.2007    1.2942 C   0  0  0  0  0
    5.8311    2.6917    0.1731 C   0  0  0  0  0
    7.2823    2.7717    0.7003 C   0  0  0  0  0
    7.5748    4.0653    1.4593 C   0  0  0  0  0
    7.2624    5.2792    0.6941 N   0  0  0  0  0
    5.8359    5.2699    0.3366 C   0  0  0  0  0
    5.4030    4.0345   -0.4665 C   0  0  0  0  0
    8.1041    5.4883   -0.4951 C   0  0  0  0  0
    9.5867    5.6331   -0.2213 C   0  0  0  0  0
   10.0615    6.6424    0.6361 C   0  0  0  0  0
   11.4505    6.8233    0.8108 C   0  0  0  0  0
   12.3229    5.9793    0.1258 C   0  0  0  0  0
   11.8827    4.9534   -0.7152 C   0  0  0  0  0
   10.5027    4.8000   -0.8787 C   0  0  0  0  0
   13.6005    6.3734    0.4451 N   0  0  0  0  0
   13.5868    7.4453    1.3051 C   0  0  0  0  0
   14.6479    8.1677    1.8635 C   0  0  0  0  0
   14.3298    9.2233    2.7226 C   0  0  0  0  0
   13.0041    9.5387    3.0118 C   0  0  0  0  0
   11.9557    8.8078    2.4407 C   0  0  0  0  0
   12.2493    7.7412    1.5660 C   0  0  0  0  0
    5.6664    1.5567   -0.8318 C   0  0  0  0  0
    6.4838    1.2405   -1.9110 C   0  0  0  0  0
    6.1462    0.1519   -2.7185 C   0  0  0  0  0
    4.9958   -0.6027   -2.4553 C   0  0  0  0  0
    4.1655   -0.2756   -1.3832 C   0  0  0  0  0
    4.5137    0.8015   -0.5785 C   0  0  0  0  0
    4.3332    3.2595    2.0924 O   0  0  0  0  0
    0.5974    3.3044   -0.7847 H   0  0  0  0  0
    0.5317    4.3619    0.6411 H   0  0  0  0  0
   -0.4408    2.8609    0.5836 H   0  0  0  0  0
    2.5507    2.3320   -0.8731 H   0  0  0  0  0
    3.3957    0.5559    1.2584 H   0  0  0  0  0
    5.3848    1.5243    1.9727 H   0  0  0  0  0
    7.5052    1.9145    1.3488 H   0  0  0  0  0
    7.9988    2.6929   -0.1256 H   0  0  0  0  0
    6.9987    4.0774    2.3937 H   0  0  0  0  0
    8.6231    4.0710    1.7798 H   0  0  0  0  0
    5.5898    6.1743   -0.2346 H   0  0  0  0  0
    5.2435    5.3557    1.2542 H   0  0  0  0  0
    4.3167    4.0729   -0.6094 H   0  0  0  0  0
    5.8229    4.1123   -1.4780 H   0  0  0  0  0
    7.7952    6.4189   -0.9910 H   0  0  0  0  0
    7.9539    4.6957   -1.2371 H   0  0  0  0  0
    9.3585    7.2917    1.1519 H   0  0  0  0  0
   12.5796    4.3068   -1.2379 H   0  0  0  0  0
   10.1447    4.0182   -1.5455 H   0  0  0  0  0
   14.4379    5.9412    0.0851 H   0  0  0  0  0
   15.6814    7.9242    1.6404 H   0  0  0  0  0
   15.1304    9.8062    3.1721 H   0  0  0  0  0
   12.7785   10.3616    3.6855 H   0  0  0  0  0
   10.9247    9.0614    2.6685 H   0  0  0  0  0
    7.3719    1.8224   -2.1373 H   0  0  0  0  0
    6.7814   -0.1112   -3.5614 H   0  0  0  0  0
    4.7471   -1.4457   -3.0958 H   0  0  0  0  0
    3.2667   -0.8523   -1.1871 H   0  0  0  0  0
    3.5018    2.9397    2.5047 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
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 13 14  1  0  0  0
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 27 32  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 29 30  2  0  0  0
 29 59  1  0  0  0
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 31 32  2  0  0  0
 31 61  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1934125

>  <PubChem CID>
57400180

>  <Formula>
C28H29N3O2

>  <Molecular Weight>
439.559000

>  <IUPAC Name>
N-[(1S,2S)-1'-(9H-carbazol-3-ylmethyl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NC1C(C2(CCN(CC2)CC3=CC4=C(C=C3)NC5=CC=CC=C54)C6=CC=CC=C16)O

>  <Isomeric SMILES>
CC(=O)N[C@@H]1[C@H](C2(CCN(CC2)CC3=CC4=C(C=C3)NC5=CC=CC=C54)C6=CC=CC=C16)O

>  <InChI Std. ID>
InChI=1S/C28H29N3O2/c1-18(32)29-26-21-7-2-4-8-23(21)28(27(26)33)12-14-31(15-13-28)17-19-10-11-25-22(16-19)20-6-3-5-9-24(20)30-25/h2-11,16,26-27,30,33H,12-15,17H2,1H3,(H,29,32)/t26-,27+/m0/s1

>  <InChI Key>
GTUCOPXBGYZNQP-RRPNLBNLSA-N

