
 CHEMBL476531

 68 73  0  0  0  0  0  0  0  0999 V2000
    3.2274    1.4368    4.1967 C   0  0  0  0  0
    3.9487    0.9045    2.9711 C   0  0  0  0  0
    3.9278    1.9267    1.9761 O   0  0  0  0  0
    4.8085    1.8136    0.9366 C   0  0  0  0  0
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    6.6084    1.8985   -1.2067 C   0  0  0  0  0
    6.4786    0.7246   -0.4498 C   0  0  0  0  0
    5.5782    0.6885    0.6283 C   0  0  0  0  0
    7.2948   -0.4034   -0.7576 N   0  0  0  0  0
    8.5703   -0.3215   -1.2745 C   0  0  0  0  0
    9.0981   -1.5962   -1.2651 C   0  0  0  0  0
    8.1464   -2.4693   -0.7855 N   0  0  0  0  0
    7.0416   -1.7665   -0.5784 C   0  0  0  0  0
    5.7479   -2.4064   -0.2931 C   0  0  0  0  0
    5.7147   -3.5368    0.5386 C   0  0  0  0  0
    4.5118   -4.1987    0.8022 C   0  0  0  0  0
    3.3299   -3.7364    0.2298 C   0  0  0  0  0
    3.3440   -2.6285   -0.6137 C   0  0  0  0  0
    4.5509   -1.9757   -0.8861 C   0  0  0  0  0
    1.8476   -4.5451    0.5553 Cl  0  0  0  0  0
   10.4887   -1.9317   -1.6154 C   0  0  0  0  0
   11.3541   -1.0544   -1.5643 O   0  0  0  0  0
   10.8118   -3.2339   -1.9917 N   0  0  0  0  0
   12.2207   -3.6520   -1.9750 C   0  0  0  0  0
   12.4458   -4.7348   -0.8930 C   0  0  0  0  0
   11.5080   -5.8767   -1.0785 N   0  0  0  0  0
   10.0895   -5.4054   -1.0662 C   0  0  0  0  0
    9.8784   -4.3554   -2.1749 C   0  0  0  0  0
   11.8465   -6.9464   -1.9200 C   0  0  0  0  0
   13.0956   -7.0606   -2.5588 C   0  0  0  0  0
   13.4461   -8.1566   -3.3826 C   0  0  0  0  0
   14.7050   -8.2470   -4.0021 C   0  0  0  0  0
   15.0319   -9.3379   -4.8112 C   0  0  0  0  0
   14.1027  -10.3530   -5.0161 C   0  0  0  0  0
   12.8505  -10.2813   -4.4072 C   0  0  0  0  0
   12.5139   -9.1909   -3.5854 C   0  0  0  0  0
   11.2769   -9.1110   -2.9457 C   0  0  0  0  0
   10.9646   -8.0203   -2.1199 C   0  0  0  0  0
    3.1921    0.6824    4.9877 H   0  0  0  0  0
    2.2058    1.7411    3.9478 H   0  0  0  0  0
    3.7390    2.3256    4.5825 H   0  0  0  0  0
    3.4332    0.0151    2.5919 H   0  0  0  0  0
    4.9743    0.6491    3.2610 H   0  0  0  0  0
    4.3062    3.8310    0.3765 H   0  0  0  0  0
    5.8968    3.9106   -1.5162 H   0  0  0  0  0
    7.2895    1.9642   -2.0518 H   0  0  0  0  0
    5.5092   -0.1973    1.2493 H   0  0  0  0  0
    9.0436    0.6195   -1.5179 H   0  0  0  0  0
    6.6369   -3.9140    0.9787 H   0  0  0  0  0
    4.5083   -5.0747    1.4454 H   0  0  0  0  0
    2.4243   -2.2730   -1.0717 H   0  0  0  0  0
    4.5394   -1.1326   -1.5738 H   0  0  0  0  0
   12.8870   -2.8051   -1.7856 H   0  0  0  0  0
   12.4548   -4.0451   -2.9709 H   0  0  0  0  0
   13.4935   -5.0467   -0.8469 H   0  0  0  0  0
   12.2360   -4.2926    0.0902 H   0  0  0  0  0
    9.3565   -6.2086   -1.1649 H   0  0  0  0  0
    9.8971   -4.9451   -0.0881 H   0  0  0  0  0
   10.1075   -4.7977   -3.1527 H   0  0  0  0  0
    8.8392   -4.0373   -2.2287 H   0  0  0  0  0
   13.8477   -6.2883   -2.4384 H   0  0  0  0  0
   15.4473   -7.4663   -3.8529 H   0  0  0  0  0
   16.0117   -9.3943   -5.2781 H   0  0  0  0  0
   14.3534  -11.2025   -5.6456 H   0  0  0  0  0
   12.1366  -11.0852   -4.5722 H   0  0  0  0  0
   10.5429   -9.9054   -3.0614 H   0  0  0  0  0
   10.0092   -8.0621   -1.6073 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  2 44  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 45  1  0  0  0
  6  7  2  0  0  0
  6 46  1  0  0  0
  7  8  1  0  0  0
  7 47  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 49  1  0  0  0
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 12 22  1  0  0  0
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 22 24  1  0  0  0
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 24 29  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
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 26 27  1  0  0  0
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 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
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 30 39  1  0  0  0
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 31 32  1  0  0  0
 31 62  1  0  0  0
 32 37  1  0  0  0
 32 33  2  0  0  0
 33 34  1  0  0  0
 33 63  1  0  0  0
 34 35  2  0  0  0
 34 64  1  0  0  0
 35 36  1  0  0  0
 35 65  1  0  0  0
 36 37  2  0  0  0
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 38 67  1  0  0  0
 39 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL476531

>  <PubChem CID>
24785180

>  <Formula>
C32H29ClN4O2

>  <Molecular Weight>
537.060000

>  <IUPAC Name>
[2-(4-chlorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C=C5

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C=C5

>  <InChI Std. ID>
InChI=1S/C32H29ClN4O2/c1-2-39-29-9-5-8-28(21-29)37-22-30(34-31(37)24-10-13-26(33)14-11-24)32(38)36-18-16-35(17-19-36)27-15-12-23-6-3-4-7-25(23)20-27/h3-15,20-22H,2,16-19H2,1H3

>  <InChI Key>
DHORIKABYLAAOE-UHFFFAOYSA-N

