
 CHEMBL337023

 62 64  0  0  0  0  0  0  0  0999 V2000
    0.3071    1.8615    2.2447 C   0  0  0  0  0
    1.6094    1.5402    1.4871 C   0  0  0  0  0
    1.2046    0.9180    0.1391 C   0  0  0  0  0
    2.4892    2.7323    1.3173 N   0  0  0  0  0
    2.7697    3.3732    2.6129 C   0  0  0  0  0
    3.7679    2.3638    0.6559 C   0  0  0  0  0
    4.6673    3.5288    0.3849 C   0  0  0  0  0
    4.5489    4.6542   -0.4045 C   0  0  0  0  0
    5.7391    5.3989   -0.2223 C   0  0  0  0  0
    6.5143    4.6877    0.6706 C   0  0  0  0  0
    5.8686    3.5417    1.0367 O   0  0  0  0  0
    7.8190    4.9645    1.3213 C   0  0  0  0  0
    8.7440    3.9395    0.9308 O   0  0  0  0  0
    9.8594    4.3575    0.2585 C   0  0  0  0  0
   10.0415    5.5013   -0.1432 O   0  0  0  0  0
   10.8465    3.1503    0.0622 C   0  0  0  0  0
   11.0645    2.9169   -1.4771 C   0  0  0  0  0
   12.1536    1.8732   -1.8251 C   0  0  0  0  0
   11.7093    0.4234   -1.6599 C   0  0  0  0  0
   10.4436    0.1343   -2.4562 C   0  0  0  0  0
    9.3222    1.1123   -2.1281 C   0  0  0  0  0
    9.7704    2.5677   -2.2497 C   0  0  0  0  0
   12.1734    3.4662    0.7822 C   0  0  0  0  0
   12.6674    2.6390    1.8082 C   0  0  0  0  0
   13.8903    2.9069    2.4299 C   0  0  0  0  0
   14.6446    4.0097    2.0419 C   0  0  0  0  0
   14.1756    4.8469    1.0346 C   0  0  0  0  0
   12.9533    4.5791    0.4118 C   0  0  0  0  0
   10.2972    1.9580    0.6429 O   0  0  0  0  0
    0.4957    2.1111    3.2935 H   0  0  0  0  0
   -0.3636    0.9944    2.2534 H   0  0  0  0  0
   -0.2304    2.6945    1.7783 H   0  0  0  0  0
    2.1434    0.7736    2.0649 H   0  0  0  0  0
    0.7586    1.6654   -0.5262 H   0  0  0  0  0
    0.4673    0.1196    0.2842 H   0  0  0  0  0
    2.0540    0.4580   -0.3739 H   0  0  0  0  0
    1.8565    3.7755    3.0624 H   0  0  0  0  0
    3.4233    4.2453    2.5064 H   0  0  0  0  0
    3.2365    2.6789    3.3205 H   0  0  0  0  0
    3.5685    1.9210   -0.3257 H   0  0  0  0  0
    4.3023    1.6099    1.2480 H   0  0  0  0  0
    3.6932    4.9090   -1.0150 H   0  0  0  0  0
    5.9896    6.3534   -0.6647 H   0  0  0  0  0
    7.7051    4.9024    2.4088 H   0  0  0  0  0
    8.1635    5.9769    1.0867 H   0  0  0  0  0
   11.4137    3.8722   -1.8954 H   0  0  0  0  0
   13.0703    2.0408   -1.2507 H   0  0  0  0  0
   12.4394    2.0215   -2.8758 H   0  0  0  0  0
   12.5109   -0.2412   -2.0034 H   0  0  0  0  0
   11.5497    0.1898   -0.6023 H   0  0  0  0  0
   10.6710    0.1927   -3.5279 H   0  0  0  0  0
   10.1097   -0.8908   -2.2599 H   0  0  0  0  0
    8.4821    0.9372   -2.8107 H   0  0  0  0  0
    8.9399    0.9123   -1.1226 H   0  0  0  0  0
    9.9519    2.7726   -3.3140 H   0  0  0  0  0
    8.9479    3.2293   -1.9579 H   0  0  0  0  0
   12.1115    1.7584    2.1253 H   0  0  0  0  0
   14.2549    2.2463    3.2123 H   0  0  0  0  0
   15.5983    4.2139    2.5214 H   0  0  0  0  0
   14.7626    5.7088    0.7275 H   0  0  0  0  0
   12.6212    5.2538   -0.3757 H   0  0  0  0  0
    9.3510    2.1382    0.8038 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 29  1  0  0  0
 16 23  1  0  0  0
 16 17  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 20 52  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 55  1  0  0  0
 22 56  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 58  1  0  0  0
 26 27  1  0  0  0
 26 59  1  0  0  0
 27 28  2  0  0  0
 27 60  1  0  0  0
 28 61  1  0  0  0
 29 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL337023

>  <PubChem CID>
9978287

>  <Formula>
C24H33NO4

>  <Molecular Weight>
399.531000

>  <IUPAC Name>
[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N(C)CC1=CC=C(O1)COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

>  <Isomeric SMILES>
CC(C)N(C)CC1=CC=C(O1)COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C24H33NO4/c1-18(2)25(3)16-21-14-15-22(29-21)17-28-23(26)24(27,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,14-15,18,20,27H,5,8-9,12-13,16-17H2,1-3H3

>  <InChI Key>
ADMOZAVVFFQCDE-UHFFFAOYSA-N

