
 CHEMBL1209401

 65 68  0  0  0  0  0  0  0  0999 V2000
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    1.3162   -3.4713    5.0893 H   0  0  0  0  0
    0.9761   -4.1103    3.4927 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
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  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
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  4  5  1  0  0  0
  4  7  1  0  0  0
  4 39  1  0  0  0
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  5 40  1  0  0  0
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  6 42  1  0  0  0
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  7 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1209401

>  <PubChem CID>
49862441

>  <Formula>
C26H33ClN2O3

>  <Molecular Weight>
457.011000

>  <IUPAC Name>
[(E)-[1,2-dicyclohexyl-3-(furan-2-yl)propylidene]amino] N-(3-chlorophenyl)carbamate

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C(CC2=CC=CO2)C(=NOC(=O)NC3=CC(=CC=C3)Cl)C4CCCCC4

>  <Isomeric SMILES>
C1CCC(CC1)C(CC2=CC=CO2)/C(=N/OC(=O)NC3=CC(=CC=C3)Cl)/C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H33ClN2O3/c27-21-13-7-14-22(17-21)28-26(30)32-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-31-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+

>  <InChI Key>
CKSSNYFGADMUAC-XLVZBRSZSA-N

