
 CHEMBL3582025

 55 58  0  0  0  0  0  0  0  0999 V2000
    5.0466   -1.1232    0.1327 C   0  0  0  0  0
    5.5137   -0.1027    1.1863 C   0  0  0  0  0
    4.5059   -0.0376    2.3522 C   0  0  0  0  0
    6.8802   -0.4711    1.7525 C   0  0  0  0  0
    7.4776   -1.6426    1.4824 N   0  0  0  0  0
    8.6835   -1.6182    2.1621 O   0  0  0  0  0
    8.7981   -0.4507    2.8457 C   0  0  0  0  0
    7.6901    0.3173    2.6158 C   0  0  0  0  0
    9.8984   -0.2667    3.5883 N   0  0  0  0  0
    5.6462    1.2197    0.6019 O   0  0  0  0  0
    4.5904    1.8770    0.0721 C   0  0  0  0  0
    3.4871    1.4203   -0.1653 O   0  0  0  0  0
    4.9278    3.3220   -0.0741 C   0  0  0  0  0
    6.1590    3.7105    0.3218 N   0  0  0  0  0
    6.4329    5.0307    0.3382 C   0  0  0  0  0
    5.5072    6.0215   -0.0109 C   0  0  0  0  0
    4.2585    5.5716   -0.4713 C   0  0  0  0  0
    3.9571    4.2112   -0.4985 C   0  0  0  0  0
    5.8461    7.4929    0.0928 C   0  0  0  0  0
    4.7501    8.4929   -0.3148 C   0  0  0  0  0
    5.1683    9.8252    0.2999 C   0  0  0  0  0
    6.1386    9.4817    1.4256 C   0  0  0  0  0
    6.1409    7.9604    1.5244 C   0  0  0  0  0
    7.7006    5.4096    0.7405 O   0  0  0  0  0
    8.5675    4.2814    0.9234 C   0  0  0  0  0
    9.9168    4.7534    1.3756 C   0  0  0  0  0
   10.3462    4.6244    2.8164 C   0  0  0  0  0
   10.9501    3.7265    1.7733 C   0  0  0  0  0
    5.7095   -1.1172   -0.7403 H   0  0  0  0  0
    4.0400   -0.9081   -0.2371 H   0  0  0  0  0
    5.0208   -2.1402    0.5412 H   0  0  0  0  0
    3.4845    0.1364    1.9999 H   0  0  0  0  0
    4.7445    0.7928    3.0284 H   0  0  0  0  0
    4.5040   -0.9644    2.9355 H   0  0  0  0  0
    7.4791    1.3005    3.0056 H   0  0  0  0  0
    9.9026    0.4231    4.3313 H   0  0  0  0  0
   10.4889   -1.0732    3.7698 H   0  0  0  0  0
    3.4872    6.2641   -0.7964 H   0  0  0  0  0
    2.9769    3.8653   -0.8121 H   0  0  0  0  0
    6.7242    7.6804   -0.5411 H   0  0  0  0  0
    3.7770    8.2181    0.1109 H   0  0  0  0  0
    4.6300    8.5609   -1.4010 H   0  0  0  0  0
    5.6571   10.4637   -0.4437 H   0  0  0  0  0
    4.2950   10.3698    0.6757 H   0  0  0  0  0
    7.1410    9.8429    1.1674 H   0  0  0  0  0
    5.8535    9.9498    2.3728 H   0  0  0  0  0
    7.0949    7.5939    1.9140 H   0  0  0  0  0
    5.3523    7.6281    2.2120 H   0  0  0  0  0
    8.6914    3.7516   -0.0298 H   0  0  0  0  0
    8.1534    3.5976    1.6762 H   0  0  0  0  0
   10.2639    5.6065    0.8049 H   0  0  0  0  0
    9.6589    4.1818    3.5281 H   0  0  0  0  0
   10.9711    5.4061    3.2324 H   0  0  0  0  0
   11.9784    3.9018    1.4786 H   0  0  0  0  0
   10.6668    2.6785    1.7771 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 10  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 19 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3582025

>  <PubChem CID>
122179280

>  <Formula>
C21H27N3O4

>  <Molecular Weight>
385.464000

>  <IUPAC Name>
2-(5-amino-1,2-oxazol-3-yl)propan-2-yl 5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carboxylate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C1=NOC(=C1)N)OC(=O)C2=NC(=C(C=C2)C3CCCC3)OCC4CC4

>  <Isomeric SMILES>
CC(C)(C1=NOC(=C1)N)OC(=O)C2=NC(=C(C=C2)C3CCCC3)OCC4CC4

>  <InChI Std. ID>
InChI=1S/C21H27N3O4/c1-21(2,17-11-18(22)28-24-17)27-20(25)16-10-9-15(14-5-3-4-6-14)19(23-16)26-12-13-7-8-13/h9-11,13-14H,3-8,12,22H2,1-2H3

>  <InChI Key>
DHKPUFSJXNHFGU-UHFFFAOYSA-N

