
 CHEMBL2024087

 38 40  0  0  0  0  0  0  0  0999 V2000
   -2.5473    1.5533    2.6952 C   0  0  0  0  0
   -1.1005    2.0633    2.7496 C   0  0  0  0  0
   -1.0398    1.9573    1.2731 N   0  0  0  0  0
   -2.1394    0.9484    1.3346 C   0  0  0  0  0
   -3.1300    1.0448    0.1706 C   0  0  0  0  0
   -3.5326    2.4094    0.0018 O   0  0  0  0  0
   -4.3503    2.6849   -1.0549 C   0  0  0  0  0
   -4.9128    1.7784   -1.9401 C   0  0  0  0  0
   -5.7109    2.1296   -2.9748 N   0  0  0  0  0
   -5.9443    3.4553   -3.1332 C   0  0  0  0  0
   -5.4418    4.4679   -2.3151 C   0  0  0  0  0
   -4.6396    4.0365   -1.2490 C   0  0  0  0  0
   -5.7616    5.9217   -2.5810 C   0  0  0  0  0
   -4.8353    7.0384   -2.1545 C   0  0  0  0  0
   -4.9216    6.6619   -3.6071 C   0  0  0  0  0
   -5.5659    7.5953   -4.5922 C   0  0  0  0  0
   -4.5321    8.3044   -5.4675 C   0  0  0  0  0
   -3.6825    9.1422   -4.6924 O   0  0  0  0  0
   -2.8325    0.8392    3.4718 H   0  0  0  0  0
   -3.2962    2.3520    2.6481 H   0  0  0  0  0
   -0.4029    1.3904    3.2614 H   0  0  0  0  0
   -0.9683    3.0746    3.1442 H   0  0  0  0  0
   -1.3412    2.8155    0.8022 H   0  0  0  0  0
   -1.7555   -0.0772    1.4284 H   0  0  0  0  0
   -4.0063    0.4241    0.3923 H   0  0  0  0  0
   -2.6441    0.6801   -0.7430 H   0  0  0  0  0
   -4.7501    0.7096   -1.8612 H   0  0  0  0  0
   -6.5841    3.6992   -3.9785 H   0  0  0  0  0
   -4.2186    4.7640   -0.5602 H   0  0  0  0  0
   -6.8229    6.1662   -2.5497 H   0  0  0  0  0
   -3.9053    6.8154   -1.6447 H   0  0  0  0  0
   -5.2925    7.9635   -1.8209 H   0  0  0  0  0
   -4.0793    6.1290   -4.0387 H   0  0  0  0  0
   -6.1734    8.3407   -4.0650 H   0  0  0  0  0
   -6.2381    7.0176   -5.2365 H   0  0  0  0  0
   -5.0323    8.9287   -6.2143 H   0  0  0  0  0
   -3.9021    7.5818   -5.9961 H   0  0  0  0  0
   -4.2476    9.7098   -4.1406 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 29  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2024087

>  <PubChem CID>
45254040

>  <Formula>
C14H20N2O2

>  <Molecular Weight>
248.326000

>  <IUPAC Name>
2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNC1COC2=CN=CC(=C2)C3CC3CCO

>  <Isomeric SMILES>
C1CN[C@@H]1COC2=CN=CC(=C2)[C@H]3C[C@@H]3CCO

>  <InChI Std. ID>
InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1

>  <InChI Key>
FQIJPHXWIONJLF-JKOKRWQUSA-N

