
 CHEMBL469386

 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.8019    0.6134    0.4107 C   0  0  0  0  0
   -1.7035   -0.0008   -0.4489 C   0  0  0  0  0
   -0.4088   -0.1759    0.3410 C   0  0  0  0  0
   -0.5964   -0.9720    1.6422 C   0  0  0  0  0
   -1.7507   -0.4004    2.4808 C   0  0  0  0  0
   -3.0396   -0.1935    1.6828 C   0  0  0  0  0
   -0.8329   -2.3828    1.3013 N   0  0  0  0  0
   -0.3803   -3.3576    2.2098 C   0  0  0  0  0
    0.2664   -2.9602    3.3187 N   0  0  0  0  0
    0.7324   -3.9124    4.1319 C   0  0  0  0  0
    0.6175   -5.2302    3.9489 N   0  0  0  0  0
   -0.0199   -5.6184    2.8354 C   0  0  0  0  0
   -0.1735   -6.9654    2.5475 C   0  0  0  0  0
   -0.7916   -7.4854    1.4551 N   0  0  0  0  0
   -1.2909   -6.5991    0.5792 C   0  0  0  0  0
   -1.1963   -5.2301    0.7490 C   0  0  0  0  0
   -0.5517   -4.7228    1.9050 C   0  0  0  0  0
   -1.9361   -7.0442   -0.5558 O   0  0  0  0  0
   -1.9698   -8.4694   -0.6551 C   0  0  0  0  0
   -2.6927   -8.8585   -1.9405 C   0  0  0  0  0
   -2.7268  -10.2713   -2.1081 O   0  0  0  0  0
   -2.5246    1.6409    0.6771 H   0  0  0  0  0
   -3.7309    0.6743   -0.1672 H   0  0  0  0  0
   -1.5161    0.6403   -1.3179 H   0  0  0  0  0
   -2.0373   -0.9702   -0.8375 H   0  0  0  0  0
    0.3423   -0.6607   -0.2944 H   0  0  0  0  0
   -0.0151    0.8181    0.5912 H   0  0  0  0  0
    0.3409   -0.8618    2.2019 H   0  0  0  0  0
   -1.9606   -1.0441    3.3428 H   0  0  0  0  0
   -1.4378    0.5712    2.8854 H   0  0  0  0  0
   -3.4774   -1.1645    1.4230 H   0  0  0  0  0
   -3.7765    0.3231    2.3087 H   0  0  0  0  0
   -1.7969   -2.5653    1.0431 H   0  0  0  0  0
    1.2547   -3.5833    5.0231 H   0  0  0  0  0
    0.2275   -7.7082    3.2341 H   0  0  0  0  0
   -1.6054   -4.5695   -0.0067 H   0  0  0  0  0
   -2.5006   -8.9100    0.1985 H   0  0  0  0  0
   -0.9516   -8.8786   -0.6836 H   0  0  0  0  0
   -2.2075   -8.4099   -2.8139 H   0  0  0  0  0
   -3.7232   -8.4887   -1.9233 H   0  0  0  0  0
   -1.8066  -10.5838   -2.1600 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL469386

>  <PubChem CID>
44592032

>  <Formula>
C15H20N4O2

>  <Molecular Weight>
288.351000

>  <IUPAC Name>
2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)NC2=NC=NC3=CN=C(C=C32)OCCO

>  <Isomeric SMILES>
C1CCC(CC1)NC2=NC=NC3=CN=C(C=C32)OCCO

>  <InChI Std. ID>
InChI=1S/C15H20N4O2/c20-6-7-21-14-8-12-13(9-16-14)17-10-18-15(12)19-11-4-2-1-3-5-11/h8-11,20H,1-7H2,(H,17,18,19)

>  <InChI Key>
AOBQCCYDDDKTOQ-UHFFFAOYSA-N

