
 CHEMBL476095

 62 66  0  0  0  0  0  0  0  0999 V2000
    0.9924    0.1548    0.9371 C   0  0  0  0  0
    2.4335    0.0758    0.5268 C   0  0  0  0  0
    2.9250    0.9321   -0.4647 C   0  0  0  0  0
    4.2658    0.8688   -0.8542 C   0  0  0  0  0
    5.1389   -0.0563   -0.2676 C   0  0  0  0  0
    4.6533   -0.8837    0.7542 C   0  0  0  0  0
    3.3099   -0.8254    1.1404 C   0  0  0  0  0
    6.5420   -0.0963   -0.7010 C   0  0  0  0  0
    7.2798    0.9996   -0.8043 N   0  0  0  0  0
    8.5786    0.5952   -1.0126 C   0  0  0  0  0
    8.6053   -0.7792   -1.1218 C   0  0  0  0  0
    7.3079   -1.2304   -0.9963 N   0  0  0  0  0
    6.9035   -2.5893   -1.1781 C   0  0  0  0  0
    5.5963   -2.9086   -1.5792 C   0  0  0  0  0
    5.2067   -4.2422   -1.7353 C   0  0  0  0  0
    6.1372   -5.2592   -1.5195 C   0  0  0  0  0
    7.4463   -4.9544   -1.1534 C   0  0  0  0  0
    7.8317   -3.6242   -0.9852 C   0  0  0  0  0
    3.9622   -4.6766   -2.1017 O   0  0  0  0  0
    2.9580   -3.6845   -2.2802 C   0  0  0  0  0
    9.7496    1.4699   -1.1845 C   0  0  0  0  0
   10.7536    1.0355   -1.7559 O   0  0  0  0  0
    9.7048    2.7835   -0.7164 N   0  0  0  0  0
   10.8678    3.6460   -0.9474 C   0  0  0  0  0
   10.4753    5.1201   -1.1773 C   0  0  0  0  0
    9.5424    5.6022   -0.1239 N   0  0  0  0  0
    8.3597    4.7226    0.0363 C   0  0  0  0  0
    8.8068    3.2827    0.3338 C   0  0  0  0  0
    9.3084    6.9853   -0.1983 C   0  0  0  0  0
   10.3408    7.8687    0.1586 C   0  0  0  0  0
   10.1635    9.2575    0.1204 C   0  0  0  0  0
    8.9390    9.7904   -0.2853 C   0  0  0  0  0
    7.9025    8.9305   -0.6459 C   0  0  0  0  0
    8.0868    7.5439   -0.5976 C   0  0  0  0  0
    8.6403   11.4896   -0.3616 Cl  0  0  0  0  0
   11.4949   10.2535    0.5934 Cl  0  0  0  0  0
    0.7870    1.1213    1.4080 H   0  0  0  0  0
    0.7343   -0.6335    1.6519 H   0  0  0  0  0
    0.3437    0.0351    0.0631 H   0  0  0  0  0
    2.2674    1.6586   -0.9375 H   0  0  0  0  0
    4.6315    1.5488   -1.6216 H   0  0  0  0  0
    5.3129   -1.5856    1.2599 H   0  0  0  0  0
    2.9562   -1.4884    1.9273 H   0  0  0  0  0
    9.4346   -1.4311   -1.3553 H   0  0  0  0  0
    4.8911   -2.1201   -1.8111 H   0  0  0  0  0
    5.8396   -6.2978   -1.6447 H   0  0  0  0  0
    8.1643   -5.7551   -0.9934 H   0  0  0  0  0
    8.8543   -3.4317   -0.6712 H   0  0  0  0  0
    2.0227   -4.1966   -2.5256 H   0  0  0  0  0
    3.2050   -3.0237   -3.1176 H   0  0  0  0  0
    2.7937   -3.1146   -1.3598 H   0  0  0  0  0
   11.4492    3.2940   -1.8061 H   0  0  0  0  0
   11.5079    3.5620   -0.0604 H   0  0  0  0  0
   11.3952    5.7166   -1.1978 H   0  0  0  0  0
    9.9918    5.2156   -2.1585 H   0  0  0  0  0
    7.7380    5.0741    0.8682 H   0  0  0  0  0
    7.7566    4.7225   -0.8805 H   0  0  0  0  0
    9.3785    3.2554    1.2705 H   0  0  0  0  0
    7.9341    2.6569    0.4947 H   0  0  0  0  0
   11.2913    7.4626    0.4982 H   0  0  0  0  0
    6.9434    9.3289   -0.9679 H   0  0  0  0  0
    7.2544    6.9144   -0.8988 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 42  1  0  0  0
  7 43  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 61  1  0  0  0
 34 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL476095

>  <PubChem CID>
44578305

>  <Formula>
C28H26Cl2N4O2

>  <Molecular Weight>
521.442000

>  <IUPAC Name>
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=NC(=CN2C3=CC(=CC=C3)OC)C(=O)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=NC(=CN2C3=CC(=CC=C3)OC)C(=O)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C28H26Cl2N4O2/c1-19-6-8-20(9-7-19)27-31-26(18-34(27)22-4-3-5-23(16-22)36-2)28(35)33-14-12-32(13-15-33)21-10-11-24(29)25(30)17-21/h3-11,16-18H,12-15H2,1-2H3

>  <InChI Key>
BKRZYYKOAAPDMP-UHFFFAOYSA-N

