
 CHEMBL60710

 60 63  0  0  0  0  0  0  0  0999 V2000
    0.3051   -2.5322    4.7541 C   0  0  0  0  0
    0.9285   -3.6326    3.9415 C   0  0  0  0  0
    1.5051   -2.2406    3.8884 C   0  0  0  0  0
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    4.0436   -0.7493    2.7401 C   0  0  0  0  0
    3.3160    0.2383    2.7689 O   0  0  0  0  0
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    5.4884    0.0440    0.8435 C   0  0  0  0  0
    6.6582   -0.3386    0.2696 O   0  0  0  0  0
    7.0233   -1.4687    0.9563 C   0  0  0  0  0
    6.1592   -1.8379    1.8879 N   0  0  0  0  0
    8.2968   -2.0718    0.5677 C   0  0  0  0  0
    9.2234   -1.3811   -0.2293 C   0  0  0  0  0
   10.4444   -1.9644   -0.5821 C   0  0  0  0  0
   10.7636   -3.2544   -0.1416 C   0  0  0  0  0
    9.8449   -3.9523    0.6497 C   0  0  0  0  0
    8.6254   -3.3631    1.0055 C   0  0  0  0  0
   12.0400   -3.8953   -0.5393 C   0  0  0  0  0
   13.1938   -3.4922    0.0414 C   0  0  0  0  0
   13.3862   -2.4709    1.1342 C   0  0  0  0  0
   13.9507   -3.1295    2.3969 C   0  0  0  0  0
   14.1604   -2.1035    3.5113 C   0  0  0  0  0
   14.6863   -2.7604    4.7857 C   0  0  0  0  0
   14.8647   -1.7486    5.8849 C   0  0  0  0  0
   15.0962   -0.5585    5.7602 O   0  0  0  0  0
   14.7827   -2.3057    7.1086 O   0  0  0  0  0
   12.0936   -4.9755   -1.5654 C   0  0  0  0  0
   11.2428   -4.9559   -2.6718 C   0  0  0  0  0
   11.1971   -5.9141   -3.6320 N   0  0  0  0  0
   12.0369   -6.9581   -3.4836 C   0  0  0  0  0
   12.9155   -7.0893   -2.4228 C   0  0  0  0  0
   12.9362   -6.0887   -1.4516 C   0  0  0  0  0
   -0.6525   -2.1377    4.4311 H   0  0  0  0  0
    0.4317   -2.5548    5.8301 H   0  0  0  0  0
    0.3874   -3.9879    3.0713 H   0  0  0  0  0
    1.4700   -4.4065    4.4726 H   0  0  0  0  0
    1.3144   -1.6361    3.0074 H   0  0  0  0  0
    3.1068   -2.6664    5.2700 H   0  0  0  0  0
    2.7518   -0.9440    5.0339 H   0  0  0  0  0
    4.5091   -2.6274    3.4214 H   0  0  0  0  0
    5.0190    0.9363    0.4552 H   0  0  0  0  0
    9.0063   -0.3736   -0.5799 H   0  0  0  0  0
   11.1437   -1.4058   -1.2010 H   0  0  0  0  0
   10.0706   -4.9601    0.9912 H   0  0  0  0  0
    7.9273   -3.9229    1.6246 H   0  0  0  0  0
   14.1339   -3.9331   -0.2903 H   0  0  0  0  0
   12.4579   -1.9506    1.3872 H   0  0  0  0  0
   14.0841   -1.7066    0.7713 H   0  0  0  0  0
   14.9055   -3.6200    2.1683 H   0  0  0  0  0
   13.2631   -3.9117    2.7432 H   0  0  0  0  0
   13.2139   -1.5924    3.7281 H   0  0  0  0  0
   14.8636   -1.3323    3.1728 H   0  0  0  0  0
   15.6527   -3.2433    4.6058 H   0  0  0  0  0
   13.9725   -3.5214    5.1216 H   0  0  0  0  0
   14.9271   -1.5540    7.7212 H   0  0  0  0  0
   10.5437   -4.1392   -2.8328 H   0  0  0  0  0
   11.9802   -7.7138   -4.2618 H   0  0  0  0  0
   13.5646   -7.9542   -2.3466 H   0  0  0  0  0
   13.6046   -6.1984   -0.6019 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
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 24 55  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 56  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 30 31  2  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 32 33  2  0  0  0
 32 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL60710

>  <PubChem CID>
15462460

>  <Formula>
C26H27N3O4

>  <Molecular Weight>
445.519000

>  <IUPAC Name>
(E)-7-[4-[4-(cyclopropylmethylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-7-pyridin-3-ylhept-6-enoic acid

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CNC(=O)C2=COC(=N2)C3=CC=C(C=C3)C(=CCCCCC(=O)O)C4=CN=CC=C4

>  <Isomeric SMILES>
C1CC1CNC(=O)C2=COC(=N2)C3=CC=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H27N3O4/c30-24(31)7-3-1-2-6-22(21-5-4-14-27-16-21)19-10-12-20(13-11-19)26-29-23(17-33-26)25(32)28-15-18-8-9-18/h4-6,10-14,16-18H,1-3,7-9,15H2,(H,28,32)(H,30,31)/b22-6+

>  <InChI Key>
ATTDTTWNDPANQN-GEVRCRHISA-N

