
 CHEMBL43111

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.9797    2.7210   -0.2650 C   0  0  0  0  0
   -1.6057    2.1208    0.9572 C   0  0  0  0  0
   -0.9614    1.2228   -0.0751 C   0  0  0  0  0
    0.2741    0.4736    0.2726 C   0  0  0  0  0
    0.2730   -0.5904    1.0141 N   0  0  0  0  0
   -1.0142   -0.9070    1.4664 O   0  0  0  0  0
   -0.9265   -2.0427    2.3243 C   0  0  0  0  0
   -2.3212   -2.3912    2.8442 C   0  0  0  0  0
   -3.2625   -2.8080    1.6941 C   0  0  0  0  0
   -4.6446   -2.9342    2.1838 N   0  0  0  0  0
   -5.4486   -1.7839    2.2312 C   0  0  0  0  0
   -6.4233   -1.6774    3.2267 C   0  0  0  0  0
   -7.2653   -0.5740    3.2394 C   0  0  0  0  0
   -7.2273    0.4124    2.3220 N   0  0  0  0  0
   -6.3167    0.2701    1.3382 C   0  0  0  0  0
   -5.4318   -0.7957    1.2473 C   0  0  0  0  0
   -2.2484   -3.4505    3.8125 O   0  0  0  0  0
    1.5633    0.9092   -0.3182 C   0  0  0  0  0
    2.3585    2.0255    0.3177 C   0  0  0  0  0
    2.8754    0.6213    0.3792 C   0  0  0  0  0
   -1.6388    3.1252   -1.0255 H   0  0  0  0  0
   -0.0725    3.2960   -0.1290 H   0  0  0  0  0
   -2.6867    2.1126    1.0294 H   0  0  0  0  0
   -1.1011    2.2536    1.9077 H   0  0  0  0  0
   -1.6360    0.6554   -0.7101 H   0  0  0  0  0
   -0.2597   -1.8214    3.1671 H   0  0  0  0  0
   -0.4982   -2.8923    1.7767 H   0  0  0  0  0
   -2.7368   -1.5149    3.3549 H   0  0  0  0  0
   -2.9666   -3.8029    1.3379 H   0  0  0  0  0
   -3.1822   -2.1380    0.8341 H   0  0  0  0  0
   -4.6472   -3.4227    3.0811 H   0  0  0  0  0
   -6.5292   -2.4365    3.9935 H   0  0  0  0  0
   -8.0203   -0.4594    4.0117 H   0  0  0  0  0
   -6.3219    1.0542    0.5869 H   0  0  0  0  0
   -4.7670   -0.8410    0.3943 H   0  0  0  0  0
   -1.8749   -4.2346    3.3744 H   0  0  0  0  0
    1.5813    0.8515   -1.4026 H   0  0  0  0  0
    1.9916    2.4656    1.2388 H   0  0  0  0  0
    2.8629    2.7251   -0.3390 H   0  0  0  0  0
    3.7272    0.3598   -0.2370 H   0  0  0  0  0
    2.8555    0.1175    1.3394 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4 18  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 26  1  0  0  0
  7 27  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL43111

>  <PubChem CID>
10636130

>  <Formula>
C15H21N3O2

>  <Molecular Weight>
275.352000

>  <IUPAC Name>
1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-4-ylamino)propan-2-ol

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1C(=NOCC(CNC2=CC=NC=C2)O)C3CC3

>  <Isomeric SMILES>
C1CC1C(=NOCC(CNC2=CC=NC=C2)O)C3CC3

>  <InChI Std. ID>
InChI=1S/C15H21N3O2/c19-14(9-17-13-5-7-16-8-6-13)10-20-18-15(11-1-2-11)12-3-4-12/h5-8,11-12,14,19H,1-4,9-10H2,(H,16,17)

>  <InChI Key>
LAYHIVACOPNUOL-UHFFFAOYSA-N

