
 CHEMBL1085624

 71 77  0  0  0  0  0  0  0  0999 V2000
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    2.8073    3.1131   -8.7277 Cl  0  0  0  0  0
    2.3283    3.7470   -1.6965 C   0  0  0  0  0
    6.4508    0.9756   -1.4020 C   0  0  0  0  0
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    4.5004   -0.7128   -2.1711 H   0  0  0  0  0
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    6.6938    2.8499   -3.1337 H   0  0  0  0  0
    5.3923    3.5804   -5.1436 H   0  0  0  0  0
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    3.7403    4.7868   -3.7859 H   0  0  0  0  0
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    5.4861    0.3043  -11.2793 H   0  0  0  0  0
   11.0763   -0.1500  -13.4892 H   0  0  0  0  0
   15.0759    3.3139  -14.2846 H   0  0  0  0  0
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    6.0675    0.3473   -0.5905 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1085624

>  <PubChem CID>
46890185

>  <Formula>
C35H32ClNOS

>  <Molecular Weight>
550.157000

>  <IUPAC Name>
[4-[4-(1-benzothiophen-3-yl)naphthalen-1-yl]-2-chlorophenyl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone

>  <XlogP>
10.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CC2CC(C1)(CN2C(=O)C3=C(C=C(C=C3)C4=CC=C(C5=CC=CC=C54)C6=CSC7=CC=CC=C76)Cl)C)C

>  <Isomeric SMILES>
C[C@@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C3=C(C=C(C=C3)C4=CC=C(C5=CC=CC=C54)C6=CSC7=CC=CC=C76)Cl

>  <InChI Std. ID>
InChI=1S/C35H32ClNOS/c1-34(2)17-23-18-35(3,20-34)21-37(23)33(38)29-13-12-22(16-31(29)36)24-14-15-27(26-9-5-4-8-25(24)26)30-19-39-32-11-7-6-10-28(30)32/h4-16,19,23H,17-18,20-21H2,1-3H3/t23-,35-/m1/s1

>  <InChI Key>
BCEXGBPLTOYCHO-JEHQLEFQSA-N

