
 CHEMBL237070

 79 83  0  0  0  0  0  0  0  0999 V2000
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    2.8173    1.0007   -2.7745 C   0  0  0  0  0
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    3.4204    1.7750   -0.4535 C   0  0  0  0  0
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    5.9043    1.4006    0.0139 N   0  0  0  0  0
    6.5483    0.8540    1.2209 C   0  0  0  0  0
    7.2359   -0.4696    0.9932 C   0  0  0  0  0
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    1.8418    3.1855   -6.7804 H   0  0  0  0  0
    1.8002    3.1724   -4.3128 H   0  0  0  0  0
    0.1905    3.2955   -4.9782 H   0  0  0  0  0
    0.0956    1.7143   -3.1570 H   0  0  0  0  0
    2.2100    0.0456   -4.6124 H   0  0  0  0  0
    1.3022   -0.4777   -3.2115 H   0  0  0  0  0
    3.1123    1.9762   -3.1757 H   0  0  0  0  0
    1.9155    0.2962   -0.9241 H   0  0  0  0  0
    1.4797    1.9477   -1.3502 H   0  0  0  0  0
    3.7204    2.7591   -0.8166 H   0  0  0  0  0
    3.0192    1.9605    0.5516 H   0  0  0  0  0
    4.3264    0.1942    0.5332 H   0  0  0  0  0
    5.7275   -0.5779   -1.6227 H   0  0  0  0  0
    4.1539   -1.1429   -1.1297 H   0  0  0  0  0
    4.8444    0.6452   -3.4209 H   0  0  0  0  0
    3.8963   -0.8075   -3.3661 H   0  0  0  0  0
    5.7929    0.7729    2.0125 H   0  0  0  0  0
    7.2826    1.5694    1.6127 H   0  0  0  0  0
    9.0520    0.3882    0.1813 H   0  0  0  0  0
   10.1536   -1.7843   -0.2002 H   0  0  0  0  0
    8.9897   -3.9000    0.3834 H   0  0  0  0  0
    6.6978   -3.8161    1.3605 H   0  0  0  0  0
    5.1806    2.5561   -2.2937 H   0  0  0  0  0
    6.8213    2.8953   -2.7714 H   0  0  0  0  0
    6.8927    4.8777   -1.2564 H   0  0  0  0  0
    5.2817    4.5271   -0.6693 H   0  0  0  0  0
    4.3541    4.8873   -2.9769 H   0  0  0  0  0
    5.9727    5.2155   -3.5815 H   0  0  0  0  0
    3.1258    6.8815   -1.4208 H   0  0  0  0  0
    3.7271    9.2807   -1.0322 H   0  0  0  0  0
    5.8824   11.0373   -1.4314 H   0  0  0  0  0
    8.1999   11.0824   -2.3354 H   0  0  0  0  0
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    1.8609    0.4282   -8.2005 H   0  0  0  0  0
    1.4776    1.8747   -8.8405 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL237070

>  <PubChem CID>
44434695

>  <Formula>
C32H42FN3O

>  <Molecular Weight>
503.706000

>  <IUPAC Name>
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-(1H-indol-3-yl)butanamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(CCC1CC2CCC(CC2)N(CC3=CC=CC=C3F)C(=O)CCCC4=CNC5=CC=CC=C54)N

>  <Isomeric SMILES>
C1CC(CCC1CC2CCC(CC2)N(CC3=CC=CC=C3F)C(=O)CCCC4=CNC5=CC=CC=C54)N

>  <InChI Std. ID>
InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2

>  <InChI Key>
AMKOEUKZHYTCTR-UHFFFAOYSA-N

