
 CHEMBL425744

 63 67  0  0  0  0  0  0  0  0999 V2000
    1.9641    1.3225    3.7456 C   0  0  0  0  0
    2.7725    0.2078    4.3938 C   0  0  0  0  0
    3.8703   -0.0918    3.3907 C   0  0  0  0  0
    3.1878    0.1211    2.1100 N   0  0  0  0  0
    2.4179    1.3570    2.2900 C   0  0  0  0  0
    4.1469    0.1911    0.9944 C   0  0  0  0  0
    3.4716    0.3404   -0.3746 C   0  0  0  0  0
    4.4421    0.3347   -1.4552 N   0  0  0  0  0
    4.5823   -0.6023   -2.4541 C   0  0  0  0  0
    5.6667   -0.1709   -3.2209 C   0  0  0  0  0
    6.0687    1.0346   -2.5981 C   0  0  0  0  0
    5.3234    1.3533   -1.5393 N   0  0  0  0  0
    6.1027   -0.9397   -4.3270 C   0  0  0  0  0
    5.3779   -2.1007   -4.6350 C   0  0  0  0  0
    4.2888   -2.5085   -3.8616 C   0  0  0  0  0
    3.8758   -1.7739   -2.7500 C   0  0  0  0  0
    7.2305   -0.5004   -5.0626 N   0  0  0  0  0
    7.9349   -1.2162   -6.0221 C   0  0  0  0  0
    7.6825   -2.3659   -6.3555 O   0  0  0  0  0
    8.9764   -0.4535   -6.5268 N   0  0  0  0  0
   10.0027   -0.8794   -7.3979 C   0  0  0  0  0
   10.1580   -2.1953   -7.8411 C   0  0  0  0  0
   11.2263   -2.5535   -8.6728 C   0  0  0  0  0
   12.1615   -1.5986   -9.0681 C   0  0  0  0  0
   11.9989   -0.2786   -8.6499 C   0  0  0  0  0
   10.9323    0.0789   -7.8171 C   0  0  0  0  0
   13.2479   -1.8267   -9.8649 O   0  0  0  0  0
   13.6768   -3.1869   -9.9789 C   0  0  0  0  0
   14.9381   -3.3094  -10.8079 C   0  0  0  0  0
   15.5718   -4.5601  -10.8958 C   0  0  0  0  0
   16.7135   -4.7277  -11.6810 C   0  0  0  0  0
   17.2368   -3.6487  -12.3890 C   0  0  0  0  0
   16.6196   -2.4018  -12.3107 C   0  0  0  0  0
   15.4761   -2.2335  -11.5272 C   0  0  0  0  0
    0.8914    1.1181    3.8317 H   0  0  0  0  0
    2.1645    2.2838    4.2314 H   0  0  0  0  0
    2.1367   -0.6740    4.5394 H   0  0  0  0  0
    3.1703    0.5010    5.3703 H   0  0  0  0  0
    4.7061    0.6063    3.5284 H   0  0  0  0  0
    4.2436   -1.1153    3.4953 H   0  0  0  0  0
    3.0335    2.2498    2.1224 H   0  0  0  0  0
    1.5595    1.3979    1.6117 H   0  0  0  0  0
    4.7380   -0.7345    0.9849 H   0  0  0  0  0
    4.8591    1.0117    1.1536 H   0  0  0  0  0
    2.9235    1.2858   -0.4554 H   0  0  0  0  0
    2.7591   -0.4734   -0.5408 H   0  0  0  0  0
    6.8764    1.6980   -2.8757 H   0  0  0  0  0
    5.6397   -2.7179   -5.4894 H   0  0  0  0  0
    3.7585   -3.4189   -4.1320 H   0  0  0  0  0
    3.0336   -2.1085   -2.1527 H   0  0  0  0  0
    7.6657    0.3450   -4.7332 H   0  0  0  0  0
    8.9676    0.5303   -6.3020 H   0  0  0  0  0
    9.4649   -2.9779   -7.5564 H   0  0  0  0  0
   11.2874   -3.5864   -8.9936 H   0  0  0  0  0
   12.7166    0.4766   -8.9626 H   0  0  0  0  0
   10.8515    1.1154   -7.4985 H   0  0  0  0  0
   12.9020   -3.7808  -10.4773 H   0  0  0  0  0
   13.8811   -3.5849   -8.9766 H   0  0  0  0  0
   15.1729   -5.4157  -10.3549 H   0  0  0  0  0
   17.1920   -5.7018  -11.7439 H   0  0  0  0  0
   18.1233   -3.7786  -13.0039 H   0  0  0  0  0
   17.0248   -1.5588  -12.8641 H   0  0  0  0  0
   15.0061   -1.2527  -11.4878 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 47  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 55  1  0  0  0
 26 56  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 31 32  2  0  0  0
 31 60  1  0  0  0
 32 33  1  0  0  0
 32 61  1  0  0  0
 33 34  2  0  0  0
 33 62  1  0  0  0
 34 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL425744

>  <PubChem CID>
44402535

>  <Formula>
C27H29N5O2

>  <Molecular Weight>
455.562000

>  <IUPAC Name>
1-(4-phenylmethoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-4-yl]urea

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=N2)C(=CC=C3)NC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=N2)C(=CC=C3)NC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H29N5O2/c33-27(29-22-11-13-23(14-12-22)34-20-21-7-2-1-3-8-21)30-25-9-6-10-26-24(25)19-28-32(26)18-17-31-15-4-5-16-31/h1-3,6-14,19H,4-5,15-18,20H2,(H2,29,30,33)

>  <InChI Key>
OQQPXDHOWXVXAA-UHFFFAOYSA-N

