
 CHEMBL255724

 71 75  0  0  0  0  0  0  0  0999 V2000
    6.9785    5.2270    4.1130 C   0  0  0  0  0
    5.9420    4.9835    3.0242 C   0  0  0  0  0
    5.4924    3.5364    2.9579 C   0  0  0  0  0
    4.4214    3.1971    3.8174 C   0  0  0  0  0
    3.8587    1.9243    3.8200 C   0  0  0  0  0
    4.3610    0.9554    2.9681 C   0  0  0  0  0
    5.4322    1.2555    2.1222 C   0  0  0  0  0
    6.0200    2.5378    2.0962 C   0  0  0  0  0
    7.1351    2.7763    1.2151 N   0  0  0  0  0
    7.5486    2.0511    0.0876 C   0  0  0  0  0
    8.6850    2.6792   -0.3827 C   0  0  0  0  0
    8.9080    3.7559    0.4864 C   0  0  0  0  0
    7.9775    3.8204    1.4358 N   0  0  0  0  0
    9.9999    4.7597    0.4447 C   0  0  0  0  0
    6.8815    0.9792   -0.3575 O   0  0  0  0  0
    6.9362    0.6072   -1.6806 C   0  0  0  0  0
    6.5410    1.4996   -2.6850 C   0  0  0  0  0
    6.5187    1.0842   -4.0151 C   0  0  0  0  0
    6.8551   -0.2284   -4.3375 C   0  0  0  0  0
    7.2428   -1.1180   -3.3338 C   0  0  0  0  0
    7.3136   -0.7060   -2.0002 C   0  0  0  0  0
    7.7664   -1.5630   -0.9638 N   0  0  0  0  0
    8.6732   -2.5934   -1.1604 C   0  0  0  0  0
    9.1945   -2.8546   -2.2384 O   0  0  0  0  0
    8.9338   -3.2657    0.0229 N   0  0  0  0  0
    9.9885   -4.1843    0.2223 C   0  0  0  0  0
   11.0823   -4.2687   -0.6358 C   0  0  0  0  0
   12.1133   -5.1812   -0.4000 C   0  0  0  0  0
   12.0936   -6.0307    0.7078 C   0  0  0  0  0
   10.9968   -5.9303    1.5802 C   0  0  0  0  0
    9.9587   -5.0141    1.3443 C   0  0  0  0  0
   13.1978   -7.0444    0.9839 C   0  0  0  0  0
   13.2516   -8.1846   -0.0490 C   0  0  0  0  0
   14.0033   -7.8418   -1.3333 C   0  0  0  0  0
   15.3837   -7.2544   -1.0604 C   0  0  0  0  0
   15.3640   -6.0951   -0.0701 C   0  0  0  0  0
   14.5875   -6.4181    1.2057 C   0  0  0  0  0
    7.3002    6.2733    4.0983 H   0  0  0  0  0
    7.8641    4.5968    3.9897 H   0  0  0  0  0
    6.5624    5.0187    5.1047 H   0  0  0  0  0
    6.2842    5.3458    2.0510 H   0  0  0  0  0
    5.0678    5.6150    3.2355 H   0  0  0  0  0
    4.0079    3.9465    4.4910 H   0  0  0  0  0
    3.0303    1.6954    4.4848 H   0  0  0  0  0
    3.9293   -0.0424    2.9647 H   0  0  0  0  0
    5.8033    0.4344    1.5203 H   0  0  0  0  0
    9.2743    2.3910   -1.2431 H   0  0  0  0  0
    9.8497    5.4505   -0.3910 H   0  0  0  0  0
   10.9697    4.2686    0.3194 H   0  0  0  0  0
   10.0394    5.3482    1.3682 H   0  0  0  0  0
    6.2457    2.5148   -2.4354 H   0  0  0  0  0
    6.2255    1.7763   -4.8000 H   0  0  0  0  0
    6.8190   -0.5665   -5.3706 H   0  0  0  0  0
    7.4812   -2.1407   -3.6212 H   0  0  0  0  0
    7.7582   -1.1602   -0.0371 H   0  0  0  0  0
    8.1984   -3.2508    0.7136 H   0  0  0  0  0
   11.1781   -3.6262   -1.5056 H   0  0  0  0  0
   12.9234   -5.1993   -1.1187 H   0  0  0  0  0
   10.9351   -6.5709    2.4580 H   0  0  0  0  0
    9.1295   -4.9754    2.0446 H   0  0  0  0  0
   12.9352   -7.5203    1.9402 H   0  0  0  0  0
   12.2411   -8.5329   -0.2948 H   0  0  0  0  0
   13.7655   -9.0374    0.4158 H   0  0  0  0  0
   14.1140   -8.7504   -1.9373 H   0  0  0  0  0
   13.4158   -7.1512   -1.9457 H   0  0  0  0  0
   16.0362   -8.0448   -0.6702 H   0  0  0  0  0
   15.8289   -6.9182   -2.0046 H   0  0  0  0  0
   16.3960   -5.8348    0.1956 H   0  0  0  0  0
   14.9547   -5.2010   -0.5488 H   0  0  0  0  0
   15.1899   -7.1366    1.7788 H   0  0  0  0  0
   14.5117   -5.5185    1.8287 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  5  6  2  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  7  8  2  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 18 19  2  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 20 21  2  0  0  0
 20 54  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 57  1  0  0  0
 28 29  2  0  0  0
 28 58  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 60  1  0  0  0
 32 37  1  0  0  0
 32 33  1  0  0  0
 32 61  1  0  0  0
 33 34  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
 34 35  1  0  0  0
 34 64  1  0  0  0
 34 65  1  0  0  0
 35 36  1  0  0  0
 35 66  1  0  0  0
 35 67  1  0  0  0
 36 37  1  0  0  0
 36 68  1  0  0  0
 36 69  1  0  0  0
 37 70  1  0  0  0
 37 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL255724

>  <PubChem CID>
24743975

>  <Formula>
C31H34N4O2

>  <Molecular Weight>
494.639000

>  <IUPAC Name>
1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea

>  <XlogP>
8.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=CC=C1N2C(=CC(=N2)C)OC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C5CCCCC5

>  <Isomeric SMILES>
CCC1=CC=CC=C1N2C(=CC(=N2)C)OC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C5CCCCC5

>  <InChI Std. ID>
InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)

>  <InChI Key>
BLOWXIFVYOKSMX-UHFFFAOYSA-N

