
 CHEMBL160722

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.9143   -0.9914   -0.2116 C   0  0  0  0  0
    2.6074    0.2957   -0.9714 C   0  0  0  0  0
    1.0980    0.4818   -1.1042 C   0  0  0  0  0
    3.1081    1.4199   -0.2399 O   0  0  0  0  0
    4.3854    1.8463   -0.4740 C   0  0  0  0  0
    5.3210    1.2365   -1.3074 C   0  0  0  0  0
    6.5969    1.7913   -1.4661 C   0  0  0  0  0
    6.9614    2.9576   -0.7846 C   0  0  0  0  0
    6.0288    3.5525    0.0710 C   0  0  0  0  0
    4.7510    3.0022    0.2193 C   0  0  0  0  0
    8.2958    3.5231   -0.9367 C   0  0  0  0  0
    9.1633    4.0730   -0.0154 C   0  0  0  0  0
   10.3311    4.4092   -0.7333 C   0  0  0  0  0
   10.1947    4.1479   -2.0352 N   0  0  0  0  0
    8.9673    3.6044   -2.1277 N   0  0  0  0  0
   11.5177    4.9355   -0.2816 N   0  0  0  0  0
   11.8351    5.1306    1.0451 C   0  0  0  0  0
   11.0708    4.9092    1.9819 O   0  0  0  0  0
   13.2193    5.7532    1.2603 C   0  0  0  0  0
   13.5438    5.8919    2.7648 C   0  0  0  0  0
   14.3427    4.6510    3.0219 C   0  0  0  0  0
   14.6442    4.0700    4.2417 C   0  0  0  0  0
   15.4568    2.9346    4.2519 C   0  0  0  0  0
   15.9668    2.4101    3.0541 C   0  0  0  0  0
   15.6568    3.0039    1.8288 C   0  0  0  0  0
   14.8300    4.1149    1.8280 C   0  0  0  0  0
   14.3657    4.9159    0.6522 C   0  0  0  0  0
    3.9896   -1.1069   -0.0430 H   0  0  0  0  0
    2.5548   -1.8674   -0.7600 H   0  0  0  0  0
    2.4438   -0.9825    0.7780 H   0  0  0  0  0
    3.0110    0.2584   -1.9891 H   0  0  0  0  0
    0.6182    0.5461   -0.1215 H   0  0  0  0  0
    0.6458   -0.3429   -1.6638 H   0  0  0  0  0
    0.8758    1.4192   -1.6258 H   0  0  0  0  0
    5.1052    0.3173   -1.8399 H   0  0  0  0  0
    7.3093    1.2757   -2.1054 H   0  0  0  0  0
    6.2816    4.4530    0.6267 H   0  0  0  0  0
    4.0359    3.4800    0.8852 H   0  0  0  0  0
    8.9813    4.1822    1.0444 H   0  0  0  0  0
    8.6388    3.3107   -3.0409 H   0  0  0  0  0
   12.1828    5.1094   -1.0209 H   0  0  0  0  0
   13.1727    6.7453    0.7929 H   0  0  0  0  0
   12.6642    5.9531    3.4111 H   0  0  0  0  0
   14.1773    6.7684    2.9402 H   0  0  0  0  0
   14.2547    4.4792    5.1684 H   0  0  0  0  0
   15.7002    2.4542    5.1963 H   0  0  0  0  0
   16.6076    1.5323    3.0824 H   0  0  0  0  0
   16.0545    2.5980    0.9044 H   0  0  0  0  0
   14.0539    4.2644   -0.1680 H   0  0  0  0  0
   15.1792    5.5674    0.3142 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 27  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL160722

>  <PubChem CID>
11057532

>  <Formula>
C22H23N3O2

>  <Molecular Weight>
361.445000

>  <IUPAC Name>
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)OC1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3CC4=CC=CC=C4C3

>  <Isomeric SMILES>
CC(C)OC1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3CC4=CC=CC=C4C3

>  <InChI Std. ID>
InChI=1S/C22H23N3O2/c1-14(2)27-19-9-7-15(8-10-19)20-13-21(25-24-20)23-22(26)18-11-16-5-3-4-6-17(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,23,24,25,26)

>  <InChI Key>
BQZVTABXTKMTBQ-UHFFFAOYSA-N

