
 CHEMBL290024

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2562    2.0296    1.3273 C   0  0  0  0  0
    1.7742    3.1035    2.2321 C   0  0  0  0  0
    0.9703    1.9666    2.8131 C   0  0  0  0  0
    1.5588    0.8545    3.6067 C   0  0  0  0  0
    1.0581   -0.3431    3.6029 N   0  0  0  0  0
   -0.0389   -0.4110    2.7360 O   0  0  0  0  0
   -0.6548   -1.7019    2.7915 C   0  0  0  0  0
   -2.1196   -1.4626    3.1579 C   0  0  0  0  0
   -3.0091   -2.6222    2.6903 C   0  0  0  0  0
   -4.4497   -2.3052    2.7775 N   0  0  0  0  0
   -4.9111   -1.1506    2.0967 C   0  0  0  0  0
   -5.6438   -0.2190    2.8658 C   0  0  0  0  0
   -6.1129    0.9788    2.3260 C   0  0  0  0  0
   -5.8817    1.2661    0.9908 C   0  0  0  0  0
   -5.1963    0.3456    0.1991 C   0  0  0  0  0
   -4.7037   -0.8761    0.7190 C   0  0  0  0  0
   -4.0347   -1.7950   -0.2273 C   0  0  0  0  0
   -2.9558   -1.3570   -1.0187 C   0  0  0  0  0
   -2.3309   -2.2139   -1.9286 C   0  0  0  0  0
   -2.7698   -3.5285   -2.0591 C   0  0  0  0  0
   -3.8358   -3.9838   -1.2868 C   0  0  0  0  0
   -4.4677   -3.1215   -0.3862 C   0  0  0  0  0
   -2.2450   -1.3039    4.5848 O   0  0  0  0  0
    2.7545    1.0771    4.4515 C   0  0  0  0  0
    3.0432    2.3840    5.1497 C   0  0  0  0  0
    2.5811    1.2047    5.9485 C   0  0  0  0  0
    0.4285    2.2614    0.6676 H   0  0  0  0  0
    1.9725    1.3297    0.9116 H   0  0  0  0  0
    1.2974    4.0770    2.1876 H   0  0  0  0  0
    2.8428    3.1451    2.4003 H   0  0  0  0  0
   -0.0438    2.2116    3.1192 H   0  0  0  0  0
   -0.1596   -2.3534    3.5219 H   0  0  0  0  0
   -0.5557   -2.1405    1.7939 H   0  0  0  0  0
   -2.4458   -0.5123    2.7161 H   0  0  0  0  0
   -2.8402   -3.4885    3.3426 H   0  0  0  0  0
   -2.7387   -2.9465    1.6853 H   0  0  0  0  0
   -4.6972   -2.2490    3.7659 H   0  0  0  0  0
   -5.8339   -0.4135    3.9191 H   0  0  0  0  0
   -6.6560    1.6812    2.9519 H   0  0  0  0  0
   -6.2451    2.1939    0.5578 H   0  0  0  0  0
   -5.0605    0.5774   -0.8566 H   0  0  0  0  0
   -2.5924   -0.3352   -0.9278 H   0  0  0  0  0
   -1.5043   -1.8524   -2.5347 H   0  0  0  0  0
   -2.2834   -4.1976   -2.7640 H   0  0  0  0  0
   -4.1794   -5.0102   -1.3822 H   0  0  0  0  0
   -5.2978   -3.4925    0.2129 H   0  0  0  0  0
   -1.5419   -0.6775    4.8433 H   0  0  0  0  0
    3.6186    0.5094    4.1169 H   0  0  0  0  0
    2.3552    3.2136    5.0381 H   0  0  0  0  0
    4.0823    2.6837    5.2328 H   0  0  0  0  0
    3.3013    0.7020    6.5840 H   0  0  0  0  0
    1.5760    1.2321    6.3530 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4 24  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 23  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290024

>  <PubChem CID>
10596336

>  <Formula>
C22H26N2O2

>  <Molecular Weight>
350.462000

>  <IUPAC Name>
1-(dicyclopropylmethylideneamino)oxy-3-(2-phenylanilino)propan-2-ol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1C(=NOCC(CNC2=CC=CC=C2C3=CC=CC=C3)O)C4CC4

>  <Isomeric SMILES>
C1CC1C(=NOCC(CNC2=CC=CC=C2C3=CC=CC=C3)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C22H26N2O2/c25-19(15-26-24-22(17-10-11-17)18-12-13-18)14-23-21-9-5-4-8-20(21)16-6-2-1-3-7-16/h1-9,17-19,23,25H,10-15H2

>  <InChI Key>
KNCNOSADGGQHIX-UHFFFAOYSA-N

