
 CHEMBL2377728

 64 67  0  0  0  0  0  0  0  0999 V2000
    6.3931   -1.1303    2.0152 C   0  0  0  0  0
    7.5096   -1.7763    1.1781 C   0  0  0  0  0
    8.0315   -2.9433    1.8234 O   0  0  0  0  0
    6.9810   -3.8982    2.0222 C   0  0  0  0  0
    5.8487   -3.3063    2.8770 C   0  0  0  0  0
    5.2858   -2.0778    2.2692 N   0  0  0  0  0
    4.2372   -1.5142    3.1437 C   0  0  0  0  0
    3.5574   -0.2413    2.5888 C   0  0  0  0  0
    2.5333    0.3257    3.4865 N   0  0  0  0  0
    2.9381    0.8079    4.8223 C   0  0  0  0  0
    4.3112    1.4946    4.8660 C   0  0  0  0  0
    4.6595    2.0477    6.2699 C   0  0  0  0  0
    6.1495    2.3387    6.4494 C   0  0  0  0  0
    6.9872    2.7028    5.3825 C   0  0  0  0  0
    8.3554    2.9028    5.5825 C   0  0  0  0  0
    8.9051    2.7591    6.8534 C   0  0  0  0  0
    8.0857    2.4268    7.9286 C   0  0  0  0  0
    6.7188    2.2219    7.7295 C   0  0  0  0  0
    3.7796    3.2316    6.6506 C   0  0  0  0  0
    3.7418    4.3996    5.8728 C   0  0  0  0  0
    2.8902    5.4532    6.2102 C   0  0  0  0  0
    2.0731    5.3590    7.3339 C   0  0  0  0  0
    2.1123    4.2147    8.1266 C   0  0  0  0  0
    2.9609    3.1584    7.7895 C   0  0  0  0  0
    1.2329    0.4324    2.9877 C   0  0  0  0  0
    0.9774    0.2634    1.7992 O   0  0  0  0  0
    0.2765    0.7188    3.9232 N   0  0  0  0  0
   -1.0660    1.0139    3.6728 C   0  0  0  0  0
   -1.8687    0.9083    4.7582 N   0  0  0  0  0
   -3.1772    1.1926    4.5544 C   0  0  0  0  0
   -3.6742    1.5904    3.3259 C   0  0  0  0  0
   -2.8839    1.7237    2.2414 N   0  0  0  0  0
   -1.5719    1.4240    2.4403 C   0  0  0  0  0
    6.8133   -0.7833    2.9680 H   0  0  0  0  0
    6.0338   -0.2579    1.4609 H   0  0  0  0  0
    8.3349   -1.0678    1.0539 H   0  0  0  0  0
    7.1498   -2.0444    0.1770 H   0  0  0  0  0
    6.6094   -4.2373    1.0478 H   0  0  0  0  0
    7.4164   -4.7634    2.5321 H   0  0  0  0  0
    5.0628   -4.0613    2.9914 H   0  0  0  0  0
    6.2470   -3.0771    3.8745 H   0  0  0  0  0
    4.6490   -1.3233    4.1412 H   0  0  0  0  0
    3.4521   -2.2697    3.2811 H   0  0  0  0  0
    3.1200   -0.4921    1.6162 H   0  0  0  0  0
    4.2794    0.5577    2.3977 H   0  0  0  0  0
    2.9271   -0.0614    5.4896 H   0  0  0  0  0
    2.1859    1.5120    5.1882 H   0  0  0  0  0
    4.3409    2.2855    4.1065 H   0  0  0  0  0
    5.0826    0.7698    4.5847 H   0  0  0  0  0
    4.4390    1.2238    6.9658 H   0  0  0  0  0
    6.5936    2.8286    4.3775 H   0  0  0  0  0
    8.9930    3.1690    4.7433 H   0  0  0  0  0
    9.9703    2.9106    7.0063 H   0  0  0  0  0
    8.5109    2.3237    8.9234 H   0  0  0  0  0
    6.0979    1.9621    8.5844 H   0  0  0  0  0
    4.3732    4.5002    4.9933 H   0  0  0  0  0
    2.8645    6.3481    5.5936 H   0  0  0  0  0
    1.4090    6.1792    7.5934 H   0  0  0  0  0
    1.4792    4.1439    9.0073 H   0  0  0  0  0
    2.9717    2.2743    8.4229 H   0  0  0  0  0
    0.4379    0.4431    4.8774 H   0  0  0  0  0
   -3.8251    1.0889    5.4172 H   0  0  0  0  0
   -4.7246    1.8141    3.1810 H   0  0  0  0  0
   -0.9452    1.5518    1.5656 H   0  0  0  0  0
  1  6  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
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 25  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 48  1  0  0  0
 11 49  1  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 12 50  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 51  1  0  0  0
 15 16  2  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 53  1  0  0  0
 17 18  2  0  0  0
 17 54  1  0  0  0
 18 55  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 21 22  2  0  0  0
 21 57  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 23 24  2  0  0  0
 23 59  1  0  0  0
 24 60  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 32 33  2  0  0  0
 33 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2377728

>  <PubChem CID>
58938087

>  <Formula>
C26H31N5O2

>  <Molecular Weight>
445.567000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyrazin-2-ylurea

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC=CN=C4

>  <Isomeric SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC=CN=C4

>  <InChI Std. ID>
InChI=1S/C26H31N5O2/c32-26(29-25-21-27-12-13-28-25)31(16-15-30-17-19-33-20-18-30)14-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,12-13,21,24H,11,14-20H2,(H,28,29,32)

>  <InChI Key>
BYQUSZHLGHLHGK-UHFFFAOYSA-N

