
 CHEMBL305153

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.2818    2.8639   -2.5277 C   0  0  0  0  0
    6.8229    1.4949   -3.0561 C   0  0  0  0  0
    6.5185    1.6348   -4.5605 C   0  0  0  0  0
    7.9492    0.4606   -2.8849 C   0  0  0  0  0
    5.5628    1.0627   -2.4148 N   0  0  0  0  0
    5.6586    0.7998   -0.9643 C   0  0  0  0  0
    4.2728    0.3966   -0.4227 C   0  0  0  0  0
    4.3136    0.1562    1.0882 C   0  0  0  0  0
    5.2733   -0.8426    1.4465 O   0  0  0  0  0
    4.8017   -2.0843    1.0174 N   0  0  0  0  0
    5.4980   -3.0785    1.4666 C   0  0  0  0  0
    5.1130   -4.4758    1.1716 C   0  0  0  0  0
    4.0695   -4.9427    0.3931 C   0  0  0  0  0
    3.9073   -6.3247    0.3065 C   0  0  0  0  0
    4.7765   -7.1916    0.9941 C   0  0  0  0  0
    5.8292   -6.6931    1.7745 C   0  0  0  0  0
    5.9947   -5.3204    1.8568 C   0  0  0  0  0
    6.9702   -4.5148    2.5589 C   0  0  0  0  0
    8.0419   -4.8992    3.3500 C   0  0  0  0  0
    8.8567   -3.9027    3.8968 C   0  0  0  0  0
    8.5977   -2.5443    3.6476 C   0  0  0  0  0
    7.5134   -2.1545    2.8563 C   0  0  0  0  0
    6.7074   -3.1481    2.3274 C   0  0  0  0  0
    3.3315    1.4357   -0.7287 O   0  0  0  0  0
    7.5954    2.8174   -1.4797 H   0  0  0  0  0
    6.4829    3.6099   -2.6091 H   0  0  0  0  0
    8.1388    3.2364   -3.1010 H   0  0  0  0  0
    5.7258    2.3701   -4.7426 H   0  0  0  0  0
    6.1977    0.6810   -4.9961 H   0  0  0  0  0
    7.4061    1.9645   -5.1132 H   0  0  0  0  0
    8.2862    0.3894   -1.8453 H   0  0  0  0  0
    8.8247    0.7320   -3.4860 H   0  0  0  0  0
    7.6261   -0.5365   -3.2054 H   0  0  0  0  0
    5.2458    0.2023   -2.8681 H   0  0  0  0  0
    5.9750    1.7122   -0.4482 H   0  0  0  0  0
    6.3787    0.0033   -0.7567 H   0  0  0  0  0
    3.9356   -0.5121   -0.9356 H   0  0  0  0  0
    3.3221   -0.1222    1.4674 H   0  0  0  0  0
    4.5871    1.0812    1.6086 H   0  0  0  0  0
    3.4058   -4.2577   -0.1222 H   0  0  0  0  0
    3.0984   -6.7365   -0.2929 H   0  0  0  0  0
    4.6264   -8.2670    0.9184 H   0  0  0  0  0
    6.4894   -7.3758    2.2985 H   0  0  0  0  0
    8.2548   -5.9455    3.5448 H   0  0  0  0  0
    9.7039   -4.1816    4.5199 H   0  0  0  0  0
    9.2500   -1.7867    4.0776 H   0  0  0  0  0
    7.3245   -1.1050    2.6689 H   0  0  0  0  0
    3.5980    1.7495   -1.6174 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
  3 29  1  0  0  0
  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
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL305153

>  <PubChem CID>
2447484

>  <Formula>
C20H24N2O2

>  <Molecular Weight>
324.424000

>  <IUPAC Name>
(2S)-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-/m0/s1

>  <InChI Key>
DSKDPDQUXBBVRD-AWEZNQCLSA-N

