
 CHEMBL203297

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.5278    0.5472    1.3682 C   0  0  0  0  0
   -0.8640    0.4845    0.0147 C   0  0  0  0  0
   -1.5077    1.7764    0.4997 C   0  0  0  0  0
   -0.6571    2.9388    0.8558 C   0  0  0  0  0
    0.5560    2.8418    1.0111 O   0  0  0  0  0
   -1.3349    4.1186    1.0076 N   0  0  0  0  0
   -0.5686    5.2556    1.3428 O   0  0  0  0  0
   -1.5008   -0.2271   -1.1540 C   0  0  0  0  0
   -2.1079   -1.4833   -1.0331 C   0  0  0  0  0
   -2.6957   -2.1159   -2.1367 C   0  0  0  0  0
   -2.7117   -1.5134   -3.3990 C   0  0  0  0  0
   -2.0849   -0.2737   -3.5308 C   0  0  0  0  0
   -1.4854    0.3522   -2.4302 C   0  0  0  0  0
   -3.3120   -2.2127   -4.4512 N   0  0  0  0  0
   -3.6403   -1.5069   -5.6830 C   0  0  0  0  0
   -4.2135   -2.4674   -6.7008 C   0  0  0  0  0
   -3.6639   -2.5310   -7.9896 C   0  0  0  0  0
   -4.1972   -3.3940   -8.9474 C   0  0  0  0  0
   -5.2611   -4.2352   -8.6204 C   0  0  0  0  0
   -5.8265   -4.1700   -7.3465 C   0  0  0  0  0
   -5.3115   -3.2863   -6.3947 C   0  0  0  0  0
   -3.5602   -3.4234  -10.1650 O   0  0  0  0  0
   -4.3179   -3.4005  -11.3135 C   0  0  0  0  0
   -3.7728   -4.0651  -12.4140 C   0  0  0  0  0
   -4.4453   -4.0683  -13.6361 C   0  0  0  0  0
   -5.6608   -3.3977  -13.7622 C   0  0  0  0  0
   -6.1969   -2.7124  -12.6712 C   0  0  0  0  0
   -5.5207   -2.7017  -11.4493 C   0  0  0  0  0
   -2.4800    0.0510    1.5149 H   0  0  0  0  0
   -0.8820    0.5212    2.2400 H   0  0  0  0  0
    0.2246    0.4399    0.0339 H   0  0  0  0  0
   -2.4593    2.0403    0.0441 H   0  0  0  0  0
   -2.3369    4.2366    0.9230 H   0  0  0  0  0
    0.3432    4.8903    1.3771 H   0  0  0  0  0
   -2.1310   -1.9833   -0.0672 H   0  0  0  0  0
   -3.1695   -3.0849   -1.9974 H   0  0  0  0  0
   -2.0250    0.2345   -4.4879 H   0  0  0  0  0
   -0.9928    1.3114   -2.5769 H   0  0  0  0  0
   -2.7938   -3.0717   -4.6374 H   0  0  0  0  0
   -2.7452   -1.0383   -6.1084 H   0  0  0  0  0
   -4.3803   -0.7213   -5.4894 H   0  0  0  0  0
   -2.8148   -1.9078   -8.2587 H   0  0  0  0  0
   -5.6520   -4.9413   -9.3479 H   0  0  0  0  0
   -6.6638   -4.8140   -7.0912 H   0  0  0  0  0
   -5.7574   -3.2468   -5.4021 H   0  0  0  0  0
   -2.8213   -4.5812  -12.3177 H   0  0  0  0  0
   -4.0198   -4.5898  -14.4889 H   0  0  0  0  0
   -6.1869   -3.4003  -14.7137 H   0  0  0  0  0
   -7.1385   -2.1783  -12.7741 H   0  0  0  0  0
   -5.9387   -2.1418  -10.6180 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL203297

>  <PubChem CID>
44409676

>  <Formula>
C23H22N2O3

>  <Molecular Weight>
374.440000

>  <IUPAC Name>
(1S,2S)-N-hydroxy-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(C1C(=O)NO)C2=CC=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NO)C2=CC=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H22N2O3/c26-23(25-27)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)28-19-6-2-1-3-7-19/h1-13,21-22,24,27H,14-15H2,(H,25,26)/t21-,22+/m1/s1

>  <InChI Key>
BRCYLYCBRKNPOD-YADHBBJMSA-N

