
 CHEMBL212671

 75 78  0  0  0  0  0  0  0  0999 V2000
    1.1529    0.6136    0.1733 C   0  0  0  0  0
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    5.2390   -0.3215   -1.3599 H   0  0  0  0  0
    3.9068   -0.0567   -2.4585 H   0  0  0  0  0
    3.7959   -2.0036   -0.0803 H   0  0  0  0  0
    4.2061   -2.4739   -1.7415 H   0  0  0  0  0
    2.5927   -1.8478   -1.3693 H   0  0  0  0  0
    4.9612    2.1974   -2.0981 H   0  0  0  0  0
    6.4879    2.5986   -1.2943 H   0  0  0  0  0
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    4.1533    5.4705    0.1168 H   0  0  0  0  0
    6.4413    3.6216    0.9705 H   0  0  0  0  0
    4.8908    3.8670    1.7915 H   0  0  0  0  0
    5.8498    7.6159   -1.0243 H   0  0  0  0  0
    4.3870    6.8908   -1.6506 H   0  0  0  0  0
    5.5722    6.4216   -3.8338 H   0  0  0  0  0
    6.9897    7.2939   -3.2006 H   0  0  0  0  0
    6.0359    8.0954   -5.4229 H   0  0  0  0  0
    4.3387   11.1345   -3.9641 H   0  0  0  0  0
    5.1503   11.0396   -8.8610 H   0  0  0  0  0
    5.8382    9.1007   -7.4876 H   0  0  0  0  0
    7.8798    4.3891   -2.9335 H   0  0  0  0  0
   10.2743    4.3432   -2.6984 H   0  0  0  0  0
    9.9570    6.4795    1.0286 H   0  0  0  0  0
    7.5745    6.5138    0.8211 H   0  0  0  0  0
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   15.7247    5.5673   -0.2466 H   0  0  0  0  0
   11.8164    5.1652    1.4999 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL212671

>  <PubChem CID>
44412960

>  <Formula>
C31H34F2N4O3S

>  <Molecular Weight>
580.695000

>  <IUPAC Name>
3-[4-[4-(3-cyanophenyl)phenyl]-1-(diethylsulfamoyl)piperidin-4-yl]-N-(3,4-difluorophenyl)propanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCN(CC)S(=O)(=O)N1CCC(CC1)(CCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

>  <Isomeric SMILES>
CCN(CC)S(=O)(=O)N1CCC(CC1)(CCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

>  <InChI Std. ID>
InChI=1S/C31H34F2N4O3S/c1-3-36(4-2)41(39,40)37-18-16-31(17-19-37,15-14-30(38)35-27-12-13-28(32)29(33)21-27)26-10-8-24(9-11-26)25-7-5-6-23(20-25)22-34/h5-13,20-21H,3-4,14-19H2,1-2H3,(H,35,38)

>  <InChI Key>
ANFVQBDHMFHTNG-UHFFFAOYSA-N

