
 CHEMBL1788270

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.6090    3.8703    1.2625 C   0  0  0  0  0
    2.0102    3.6952    0.6450 C   0  0  0  0  0
    1.9413    4.1141   -0.8335 C   0  0  0  0  0
    2.9918    4.6031    1.4029 C   0  0  0  0  0
    2.3532    2.2716    0.8054 N   0  0  0  0  0
    3.6827    1.8640    0.3295 C   0  0  0  0  0
    3.8352    0.3310    0.3586 C   0  0  0  0  0
    3.7735   -0.2438    1.7780 C   0  0  0  0  0
    4.0946   -1.6447    1.7312 O   0  0  0  0  0
    2.9416   -2.3656    1.3978 N   0  0  0  0  0
    3.1135   -3.6472    1.4624 C   0  0  0  0  0
    1.9940   -4.5878    1.2307 C   0  0  0  0  0
    0.6783   -4.3119    0.9047 C   0  0  0  0  0
   -0.1858   -5.3980    0.7643 C   0  0  0  0  0
    0.2787   -6.7124    0.9537 C   0  0  0  0  0
    1.6167   -6.9659    1.2850 C   0  0  0  0  0
    2.4767   -5.8882    1.4224 C   0  0  0  0  0
    3.8850   -5.8273    1.7479 C   0  0  0  0  0
    4.7871   -6.8490    2.0021 C   0  0  0  0  0
    6.1180   -6.5117    2.2660 C   0  0  0  0  0
    6.5328   -5.1696    2.2707 C   0  0  0  0  0
    5.6228   -4.1377    2.0208 C   0  0  0  0  0
    4.3061   -4.4816    1.7688 C   0  0  0  0  0
    2.8053   -0.2537   -0.4616 O   0  0  0  0  0
    0.6004    3.5909    2.3226 H   0  0  0  0  0
   -0.1370    3.2531    0.7477 H   0  0  0  0  0
    0.2749    4.9122    1.1945 H   0  0  0  0  0
    1.2815    3.4518   -1.4057 H   0  0  0  0  0
    2.9267    4.1040   -1.3109 H   0  0  0  0  0
    1.5492    5.1331   -0.9327 H   0  0  0  0  0
    3.0820    4.3026    2.4532 H   0  0  0  0  0
    2.6520    5.6452    1.3879 H   0  0  0  0  0
    3.9927    4.5844    0.9587 H   0  0  0  0  0
    1.6724    1.6941    0.2996 H   0  0  0  0  0
    4.4688    2.3148    0.9441 H   0  0  0  0  0
    3.8239    2.1857   -0.7073 H   0  0  0  0  0
    4.7900    0.0532   -0.1027 H   0  0  0  0  0
    2.7863   -0.1123    2.2385 H   0  0  0  0  0
    4.5194    0.2362    2.4194 H   0  0  0  0  0
    0.3343   -3.2923    0.7694 H   0  0  0  0  0
   -1.2296   -5.2272    0.5088 H   0  0  0  0  0
   -0.4140   -7.5449    0.8418 H   0  0  0  0  0
    1.9588   -7.9850    1.4283 H   0  0  0  0  0
    4.4799   -7.8895    1.9948 H   0  0  0  0  0
    6.8440   -7.2974    2.4655 H   0  0  0  0  0
    7.5758   -4.9306    2.4692 H   0  0  0  0  0
    5.9564   -3.1077    2.0215 H   0  0  0  0  0
    2.7022   -1.1663   -0.1106 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
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  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 24  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
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 11 12  1  0  0  0
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 12 17  1  0  0  0
 12 13  2  0  0  0
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 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1788270

>  <PubChem CID>
2447486

>  <Formula>
C20H24N2O2

>  <Molecular Weight>
324.424000

>  <IUPAC Name>
(2R)-1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)NCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O

>  <Isomeric SMILES>
CC(C)(C)NC[C@H](CON=C1C2=CC=CC=C2C3=CC=CC=C31)O

>  <InChI Std. ID>
InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m1/s1

>  <InChI Key>
DSKDPDQUXBBVRD-CQSZACIVSA-N

