
 CHEMBL3701942

 36 38  0  0  0  0  0  0  0  0999 V2000
   -3.4676   -1.4139   -1.2053 C   0  0  0  0  0
   -2.6829   -2.5381   -0.5152 C   0  0  0  0  0
   -1.2790   -2.2512   -0.4567 O   0  0  0  0  0
   -1.0039   -0.9973    0.2078 C   0  0  0  0  0
   -1.8150    0.1448   -0.4648 C   0  0  0  0  0
   -3.2703   -0.1091   -0.5470 N   0  0  0  0  0
   -1.1104   -1.1643    1.7193 C   0  0  0  0  0
   -0.4388   -2.2379    2.3267 C   0  0  0  0  0
   -0.4857   -2.4326    3.7114 C   0  0  0  0  0
   -1.1997   -1.5591    4.5381 C   0  0  0  0  0
   -1.8681   -0.4898    3.9360 C   0  0  0  0  0
   -1.8136   -0.2841    2.5506 C   0  0  0  0  0
   -1.2551   -1.8146    5.9183 N   0  0  0  0  0
   -2.2473   -1.5506    6.8750 C   0  0  0  0  0
   -1.8875   -1.4293    8.2207 C   0  0  0  0  0
   -2.8542   -1.1256    9.1712 C   0  0  0  0  0
   -4.1628   -0.9400    8.7668 C   0  0  0  0  0
   -4.5619   -1.0354    7.4798 N   0  0  0  0  0
   -3.5949   -1.3325    6.5719 C   0  0  0  0  0
   -2.5155   -1.0090   10.4613 F   0  0  0  0  0
   -3.1526   -1.3296   -2.2516 H   0  0  0  0  0
   -4.5360   -1.6543   -1.2063 H   0  0  0  0  0
   -2.8024   -3.4672   -1.0813 H   0  0  0  0  0
   -3.0640   -2.7227    0.4961 H   0  0  0  0  0
    0.0546   -0.7825    0.0094 H   0  0  0  0  0
   -1.6411    1.1013    0.0405 H   0  0  0  0  0
   -1.4478    0.2720   -1.4924 H   0  0  0  0  0
   -3.6392   -0.1812    0.4015 H   0  0  0  0  0
    0.1231   -2.9408    1.7131 H   0  0  0  0  0
    0.0356   -3.2878    4.1345 H   0  0  0  0  0
   -2.4101    0.2309    4.5428 H   0  0  0  0  0
   -2.3293    0.5848    2.1519 H   0  0  0  0  0
   -0.4664   -2.3466    6.2701 H   0  0  0  0  0
   -0.8589   -1.5548    8.5410 H   0  0  0  0  0
   -4.9377   -0.7030    9.4877 H   0  0  0  0  0
   -3.9610   -1.4243    5.5529 H   0  0  0  0  0
  1  6  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
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701942

>  <PubChem CID>
68325813

>  <Formula>
C15H16FN3O

>  <Molecular Weight>
273.311000

>  <IUPAC Name>
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-3-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=CC(=CN=C3)F

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC3=CC(=CN=C3)F

>  <InChI Std. ID>
InChI=1S/C15H16FN3O/c16-12-7-14(9-18-8-12)19-13-3-1-11(2-4-13)15-10-17-5-6-20-15/h1-4,7-9,15,17,19H,5-6,10H2/t15-/m1/s1

>  <InChI Key>
KQAIOWLBUNCCPB-OAHLLOKOSA-N

