
 CHEMBL362240

 74 79  0  0  0  0  0  0  0  0999 V2000
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    5.4405    5.9835    6.2304 C   0  0  0  0  0
    4.3490    6.3039    5.7975 O   0  0  0  0  0
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    0.1083    4.9560    1.0271 C   0  0  0  0  0
    0.5426    6.2031    0.6727 N   0  0  0  0  0
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    5.0199   -0.6558    1.2151 H   0  0  0  0  0
    6.3993   -1.6317    0.7047 H   0  0  0  0  0
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    4.5233    1.4329    0.1282 H   0  0  0  0  0
    8.2612    0.6467   -3.0355 H   0  0  0  0  0
    7.5651   -1.1340   -1.4798 H   0  0  0  0  0
    4.2116    5.7707   -2.1295 H   0  0  0  0  0
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    4.2494    4.3425   -4.1143 H   0  0  0  0  0
    1.2441    3.9939   -3.6408 H   0  0  0  0  0
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    4.9078    3.3237    4.7160 H   0  0  0  0  0
    5.6137    3.1217    3.1203 H   0  0  0  0  0
    7.3450    3.9974    4.2434 H   0  0  0  0  0
    7.5680    6.4875    3.5538 H   0  0  0  0  0
    7.3503    5.2430    2.3351 H   0  0  0  0  0
    5.2193    7.1441    3.3838 H   0  0  0  0  0
    5.9372    7.1508    1.7984 H   0  0  0  0  0
    9.1630    4.1482    5.5009 H   0  0  0  0  0
   10.6732    4.3161    7.4611 H   0  0  0  0  0
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    1.1840    2.9914    1.2008 H   0  0  0  0  0
   -0.9258    4.7741    1.2947 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL362240

>  <PubChem CID>
44391102

>  <Formula>
C30H36ClN5O2

>  <Molecular Weight>
534.101000

>  <IUPAC Name>
3-[1-[2-[1-(2-chloro-5-methylphenoxy)cyclohexyl]-2-imidazol-1-ylethyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)Cl)OC2(CCCCC2)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)N6C=CN=C6

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)Cl)OC2(CCCCC2)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)N6C=CN=C6

>  <InChI Std. ID>
InChI=1S/C30H36ClN5O2/c1-22-9-10-24(31)27(19-22)38-30(13-5-2-6-14-30)28(35-18-15-32-21-35)20-34-16-11-23(12-17-34)36-26-8-4-3-7-25(26)33-29(36)37/h3-4,7-10,15,18-19,21,23,28H,2,5-6,11-14,16-17,20H2,1H3,(H,33,37)

>  <InChI Key>
AFEMFTNPESLYFE-UHFFFAOYSA-N

