
 CHEMBL505727

 74 79  0  0  0  0  0  0  0  0999 V2000
    7.7684    6.0297    3.0388 C   0  0  0  0  0
    6.6590    5.1798    2.4430 C   0  0  0  0  0
    7.2671    4.1765    1.6309 O   0  0  0  0  0
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    4.3715    2.5431    0.0060 C   0  0  0  0  0
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    6.2999    1.0706   -0.0118 C   0  0  0  0  0
    7.0254    2.0725    0.6580 C   0  0  0  0  0
    6.9455   -0.1586   -0.3639 N   0  0  0  0  0
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   10.7184   -8.4472   -7.1222 C   0  0  0  0  0
   10.2351   -9.2562   -7.8885 O   0  0  0  0  0
   11.3498   -7.3527   -7.5947 O   0  0  0  0  0
    7.3630    6.7696    3.7345 H   0  0  0  0  0
    8.3116    6.5558    2.2462 H   0  0  0  0  0
    8.4988    5.4070    3.5654 H   0  0  0  0  0
    6.0070    5.8292    1.8498 H   0  0  0  0  0
    6.0863    4.7063    3.2489 H   0  0  0  0  0
    4.5996    4.4514    0.9365 H   0  0  0  0  0
    3.3373    2.7359   -0.2719 H   0  0  0  0  0
    4.3818    0.6466   -0.9584 H   0  0  0  0  0
    8.0640    1.9312    0.9471 H   0  0  0  0  0
    9.0012    0.5290   -0.3581 H   0  0  0  0  0
    4.5392   -1.0444    1.3309 H   0  0  0  0  0
    2.1973   -1.7853    1.2962 H   0  0  0  0  0
    2.8553   -3.7205   -2.4994 H   0  0  0  0  0
    5.1798   -2.9365   -2.4896 H   0  0  0  0  0
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    0.6030   -3.6313    0.3165 H   0  0  0  0  0
    0.7308   -3.9695   -1.4124 H   0  0  0  0  0
    8.3203   -4.2182   -1.0609 H   0  0  0  0  0
    9.8708   -4.7415   -0.4415 H   0  0  0  0  0
    8.8650   -6.5299   -1.7688 H   0  0  0  0  0
    8.6257   -5.4513   -3.1575 H   0  0  0  0  0
   12.3079   -5.0914   -3.7930 H   0  0  0  0  0
   10.7160   -4.5097   -4.3425 H   0  0  0  0  0
   12.0305   -3.9078   -1.6389 H   0  0  0  0  0
   11.8059   -2.7964   -2.9986 H   0  0  0  0  0
   10.6712   -8.3871   -1.7688 H   0  0  0  0  0
   10.7252  -10.8134   -1.6700 H   0  0  0  0  0
   10.8159  -13.0076   -2.7770 H   0  0  0  0  0
   10.8678  -13.1474   -5.2540 H   0  0  0  0  0
   10.8337  -11.1228   -6.6051 H   0  0  0  0  0
   10.6624   -6.3477   -5.5291 H   0  0  0  0  0
   11.2867   -7.4519   -8.5679 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 44  1  0  0  0
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  2  3  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL505727

>  <PubChem CID>
16755781

>  <Formula>
C34H32N4O4

>  <Molecular Weight>
560.654000

>  <IUPAC Name>
3-[4-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41)

>  <InChI Key>
HMGSYODAZJHCRL-UHFFFAOYSA-N

