
 CHEMBL2182026

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.4250   -0.6450    1.4836 C   0  0  0  0  0
    2.8374   -0.4974    1.2253 N   0  0  0  0  0
    3.5884    0.6575    1.1847 C   0  0  0  0  0
    4.9120    0.2519    1.1022 C   0  0  0  0  0
    4.8336   -1.1601    1.0403 C   0  0  0  0  0
    3.5846   -1.6161    1.1376 N   0  0  0  0  0
    6.0665    1.1133    0.8877 C   0  0  0  0  0
    6.3013    2.2511    1.6639 C   0  0  0  0  0
    7.3797    3.1002    1.3753 C   0  0  0  0  0
    8.2776    2.8244    0.3290 C   0  0  0  0  0
    8.0591    1.6512   -0.4092 C   0  0  0  0  0
    6.9713    0.8097   -0.1371 C   0  0  0  0  0
    9.4141    3.7254    0.0371 C   0  0  0  0  0
   10.6913    3.2250   -0.2578 C   0  0  0  0  0
   11.7746    4.0834   -0.4924 C   0  0  0  0  0
   11.6346    5.4779   -0.4326 C   0  0  0  0  0
   10.3501    5.9768   -0.1737 C   0  0  0  0  0
    9.2637    5.1214    0.0561 C   0  0  0  0  0
   12.8256    6.4075   -0.6466 C   0  0  0  0  0
   13.1332    7.4452    0.4328 C   0  0  0  0  0
   14.0174    6.2477    0.2984 C   0  0  0  0  0
   13.1273    6.7640   -2.0662 C   0  0  0  0  0
   13.8254    6.0950   -2.8104 O   0  0  0  0  0
   12.5532    7.9163   -2.4698 O   0  0  0  0  0
    3.1662    1.9743    1.2124 N   0  0  0  0  0
    2.0973    2.4631    0.4247 C   0  0  0  0  0
    1.4577    1.7449   -0.3199 O   0  0  0  0  0
    2.0146    3.8015    0.5641 O   0  0  0  0  0
    1.4930    4.5022   -0.5810 C   0  0  0  0  0
    1.2537    6.0168   -0.3668 C   0  0  0  0  0
    1.8662    6.2611   -1.7569 C   0  0  0  0  0
    2.5702    4.9026   -1.6235 C   0  0  0  0  0
    1.0133    0.2942    1.8573 H   0  0  0  0  0
    1.2898   -1.4166    2.2474 H   0  0  0  0  0
    0.9346   -0.9424    0.5539 H   0  0  0  0  0
    5.6388   -1.8745    0.9157 H   0  0  0  0  0
    5.6772    2.4907    2.5199 H   0  0  0  0  0
    7.5311    3.9788    2.0010 H   0  0  0  0  0
    8.7293    1.3821   -1.2241 H   0  0  0  0  0
    6.8413   -0.0781   -0.7543 H   0  0  0  0  0
   10.8721    2.1524   -0.2892 H   0  0  0  0  0
   12.7500    3.6526   -0.7157 H   0  0  0  0  0
   10.1904    7.0535   -0.1434 H   0  0  0  0  0
    8.2911    5.5689    0.2482 H   0  0  0  0  0
   12.4916    7.5018    1.3048 H   0  0  0  0  0
   13.5298    8.4064    0.1235 H   0  0  0  0  0
   15.0136    6.3898   -0.1070 H   0  0  0  0  0
   13.9701    5.4960    1.0785 H   0  0  0  0  0
   12.8449    8.0029   -3.4007 H   0  0  0  0  0
    3.7795    2.6897    1.5699 H   0  0  0  0  0
    0.6119    4.0142   -1.0191 H   0  0  0  0  0
    1.8311    6.4482    0.4587 H   0  0  0  0  0
    0.2077    6.3174   -0.2628 H   0  0  0  0  0
    1.1296    6.2946   -2.5665 H   0  0  0  0  0
    2.5262    7.1289   -1.8352 H   0  0  0  0  0
    2.6018    4.2954   -2.5307 H   0  0  0  0  0
    3.5839    4.9695   -1.2079 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 29 32  1  0  0  0
 29 30  1  0  0  0
 29 51  1  0  0  0
 30 31  1  0  0  0
 30 52  1  0  0  0
 30 53  1  0  0  0
 31 32  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2182026

>  <PubChem CID>
71459352

>  <Formula>
C25H25N3O4

>  <Molecular Weight>
431.492000

>  <IUPAC Name>
1-[4-[4-[5-(cyclobutyloxycarbonylamino)-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O)NC(=O)OC5CCC5

>  <Isomeric SMILES>
CN1C(=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O)NC(=O)OC5CCC5

>  <InChI Std. ID>
InChI=1S/C25H25N3O4/c1-28-22(27-24(31)32-20-3-2-4-20)21(15-26-28)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25(13-14-25)23(29)30/h5-12,15,20H,2-4,13-14H2,1H3,(H,27,31)(H,29,30)

>  <InChI Key>
CJBZKRPBSHOGLR-UHFFFAOYSA-N

