
 CHEMBL340153

 69 74  0  0  0  0  0  0  0  0999 V2000
    0.9084    0.2113    0.9865 C   0  0  0  0  0
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    1.1351    1.0583    1.6434 H   0  0  0  0  0
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    0.0527   -0.6774   -1.6273 H   0  0  0  0  0
    0.9476    1.4413   -1.4706 H   0  0  0  0  0
    2.0250    1.0636   -2.7839 H   0  0  0  0  0
    3.8746   -2.3510   -0.5649 H   0  0  0  0  0
    3.2196   -2.3511   -2.1725 H   0  0  0  0  0
    3.8668   -1.8331   -3.8849 H   0  0  0  0  0
    4.3958   -1.1340   -6.1237 H   0  0  0  0  0
    5.2687    1.1406   -6.5771 H   0  0  0  0  0
    5.6386    2.7047   -4.6880 H   0  0  0  0  0
    5.1264    2.0393   -2.4023 H   0  0  0  0  0
    5.7483    0.3884   -0.8701 H   0  0  0  0  0
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    2.6353    4.7393    0.9899 H   0  0  0  0  0
    4.1960    5.4747    3.4765 H   0  0  0  0  0
    2.7875    6.2745    2.8164 H   0  0  0  0  0
    6.8238    6.4785    1.4805 H   0  0  0  0  0
    5.8562    6.1637    0.0565 H   0  0  0  0  0
    6.7241    4.1057    0.9190 H   0  0  0  0  0
    6.0397    4.3641    2.5281 H   0  0  0  0  0
    5.7357    7.6004    3.6570 H   0  0  0  0  0
    4.9927    9.9896    2.9554 H   0  0  0  0  0
    3.5002   11.0268    0.7754 H   0  0  0  0  0
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    2.7092   -1.8767    1.7756 H   0  0  0  0  0
    2.9587   -0.2540    2.3812 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL340153

>  <PubChem CID>
44351215

>  <Formula>
C29H35NO3S

>  <Molecular Weight>
477.663000

>  <IUPAC Name>
(3S,4S)-7,7-dimethyl-3-phenyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-3-ol

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)(C3=CC=CC=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

>  <Isomeric SMILES>
CC1(C2CC[C@]1([C@](C2)(C3=CC=CC=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

>  <InChI Std. ID>
InChI=1S/C29H35NO3S/c1-26(2)24-13-15-28(26,29(31,20-24)23-9-4-3-5-10-23)21-34(32,33)30-18-16-27(17-19-30)14-12-22-8-6-7-11-25(22)27/h3-12,14,24,31H,13,15-21H2,1-2H3/t24?,28-,29-/m0/s1

>  <InChI Key>
CIXYXEJAJRKIDO-UTARDKEYSA-N

