
 CHEMBL264259

 77 81  0  0  0  0  0  0  0  0999 V2000
   23.4775    1.4845  -12.5488 C   0  0  0  0  0
   22.4748    1.1001  -11.5872 N   0  0  0  0  0
   22.8420    0.6273  -10.3444 C   0  0  0  0  0
   24.0079    0.4783   -9.9947 O   0  0  0  0  0
   21.7317    0.3418   -9.3957 C   0  0  0  0  0
   20.4689   -0.0694   -9.8354 C   0  0  0  0  0
   19.4460   -0.2983   -8.9082 C   0  0  0  0  0
   19.6644   -0.1181   -7.5342 C   0  0  0  0  0
   20.9472    0.2446   -7.1025 C   0  0  0  0  0
   21.9725    0.4756   -8.0252 C   0  0  0  0  0
   18.5411   -0.3413   -6.6110 C   0  0  0  0  0
   18.4255    0.2336   -5.4035 C   0  0  0  0  0
   17.1935    0.0235   -4.6040 C   0  0  0  0  0
   16.1400   -0.3610   -5.0941 O   0  0  0  0  0
   17.3681    0.3169   -3.2749 N   0  0  0  0  0
   16.2930    0.0847   -2.3277 C   0  0  0  0  0
   16.3916   -1.3393   -1.7559 C   0  0  0  0  0
   17.4346   -1.6783   -1.1881 O   0  0  0  0  0
   15.3113   -2.1997   -1.9632 N   0  0  0  0  0
   14.0964   -1.8072   -2.6771 C   0  0  0  0  0
   15.3643   -3.5454   -1.4767 C   0  0  0  0  0
   15.1214   -4.6690   -2.3024 C   0  0  0  0  0
   15.0333   -5.9754   -1.7593 C   0  0  0  0  0
   15.2370   -6.1289   -0.3776 C   0  0  0  0  0
   15.5358   -5.0275    0.4310 C   0  0  0  0  0
   15.6030   -3.7472   -0.1133 C   0  0  0  0  0
   15.1553   -7.6630    0.4167 Cl  0  0  0  0  0
   14.7576   -7.1596   -2.6639 C   0  0  0  0  0
   13.4534   -6.9975   -3.2380 O   0  0  0  0  0
   13.3091   -7.5954   -4.4829 C   0  0  0  0  0
   12.3489   -7.0140   -5.3210 C   0  0  0  0  0
   12.1309   -7.5063   -6.6081 C   0  0  0  0  0
   12.8536   -8.6002   -7.0980 C   0  0  0  0  0
   13.7952   -9.1888   -6.2416 C   0  0  0  0  0
   14.0241   -8.7200   -4.9509 C   0  0  0  0  0
   14.9853   -9.4781   -4.3321 N   0  0  0  0  0
   15.3710  -10.4002   -5.1968 C   0  0  0  0  0
   14.6827  -10.2368   -6.3869 N   0  0  0  0  0
   14.9140  -10.9545   -7.6180 C   0  0  0  0  0
   16.4321  -11.3735   -4.9027 C   0  0  0  0  0
   16.4035  -12.7014   -5.3461 C   0  0  0  0  0
   17.4362  -13.5864   -5.0157 C   0  0  0  0  0
   18.4976  -13.1619   -4.2188 C   0  0  0  0  0
   18.5266  -11.8530   -3.7460 C   0  0  0  0  0
   17.5006  -10.9692   -4.0856 C   0  0  0  0  0
   15.0835   -4.4549   -4.0359 Cl  0  0  0  0  0
   22.9790    1.8514  -13.4472 H   0  0  0  0  0
   24.0953    0.6148  -12.7915 H   0  0  0  0  0
   24.1075    2.2701  -12.1222 H   0  0  0  0  0
   21.5232    1.4005  -11.7433 H   0  0  0  0  0
   20.2692   -0.2378  -10.8894 H   0  0  0  0  0
   18.4695   -0.6123   -9.2728 H   0  0  0  0  0
   21.1745    0.3508   -6.0447 H   0  0  0  0  0
   22.9600    0.7662   -7.6715 H   0  0  0  0  0
   17.7430   -0.9880   -6.9760 H   0  0  0  0  0
   19.1662    0.9084   -5.0012 H   0  0  0  0  0
   18.3058    0.3832   -2.9011 H   0  0  0  0  0
   15.3408    0.3153   -2.8019 H   0  0  0  0  0
   16.4306    0.7839   -1.4958 H   0  0  0  0  0
   13.6992   -0.8928   -2.2251 H   0  0  0  0  0
   13.3141   -2.5689   -2.5972 H   0  0  0  0  0
   14.3287   -1.6166   -3.7271 H   0  0  0  0  0
   15.7079   -5.1591    1.4966 H   0  0  0  0  0
   15.8124   -2.9055    0.5430 H   0  0  0  0  0
   14.7710   -8.1099   -2.1257 H   0  0  0  0  0
   15.5573   -7.1862   -3.4163 H   0  0  0  0  0
   11.7855   -6.1533   -4.9688 H   0  0  0  0  0
   11.3925   -7.0234   -7.2454 H   0  0  0  0  0
   12.6807   -8.9656   -8.1046 H   0  0  0  0  0
   14.4319  -10.4397   -8.4524 H   0  0  0  0  0
   14.4868  -11.9544   -7.5231 H   0  0  0  0  0
   15.9889  -10.9977   -7.8092 H   0  0  0  0  0
   15.5680  -13.0829   -5.9232 H   0  0  0  0  0
   17.4018  -14.6158   -5.3662 H   0  0  0  0  0
   19.2919  -13.8536   -3.9520 H   0  0  0  0  0
   19.3392  -11.5198   -3.1064 H   0  0  0  0  0
   17.5283   -9.9519   -3.6968 H   0  0  0  0  0
  1  2  1  0  0  0
  1 47  1  0  0  0
  1 48  1  0  0  0
  1 49  1  0  0  0
  2  3  1  0  0  0
  2 50  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 51  1  0  0  0
  7  8  2  0  0  0
  7 52  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 53  1  0  0  0
 10 54  1  0  0  0
 11 12  2  0  0  0
 11 55  1  0  0  0
 12 13  1  0  0  0
 12 56  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 57  1  0  0  0
 16 17  1  0  0  0
 16 58  1  0  0  0
 16 59  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 60  1  0  0  0
 20 61  1  0  0  0
 20 62  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 63  1  0  0  0
 26 64  1  0  0  0
 28 29  1  0  0  0
 28 65  1  0  0  0
 28 66  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 67  1  0  0  0
 32 33  2  0  0  0
 32 68  1  0  0  0
 33 34  1  0  0  0
 33 69  1  0  0  0
 34 38  1  0  0  0
 34 35  2  0  0  0
 35 36  1  0  0  0
 36 37  2  0  0  0
 37 38  1  0  0  0
 37 40  1  0  0  0
 38 39  1  0  0  0
 39 70  1  0  0  0
 39 71  1  0  0  0
 39 72  1  0  0  0
 40 41  2  0  0  0
 40 45  1  0  0  0
 41 42  1  0  0  0
 41 73  1  0  0  0
 42 43  2  0  0  0
 42 74  1  0  0  0
 43 44  1  0  0  0
 43 75  1  0  0  0
 44 45  2  0  0  0
 44 76  1  0  0  0
 45 77  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL264259

>  <PubChem CID>
10842026

>  <Formula>
C35H31Cl2N5O4

>  <Molecular Weight>
656.564000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(1-methyl-2-phenylbenzimidazol-4-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC(=O)C1=CC=C(C=C1)C=CC(=O)NCC(=O)N(C)C2=C(C(=C(C=C2)Cl)COC3=CC=CC4=C3N=C(N4C)C5=CC=CC=C5)Cl

>  <Isomeric SMILES>
CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)N(C)C2=C(C(=C(C=C2)Cl)COC3=CC=CC4=C3N=C(N4C)C5=CC=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C35H31Cl2N5O4/c1-38-35(45)24-15-12-22(13-16-24)14-19-30(43)39-20-31(44)41(2)27-18-17-26(36)25(32(27)37)21-46-29-11-7-10-28-33(29)40-34(42(28)3)23-8-5-4-6-9-23/h4-19H,20-21H2,1-3H3,(H,38,45)(H,39,43)/b19-14+

>  <InChI Key>
FVHSFVCHIJEABK-XMHGGMMESA-N

