
 CHEMBL456053

 57 62  0  0  0  0  0  0  0  0999 V2000
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    4.1872   -4.2538    0.7732 S   0  0  0  0  0
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    6.0314    3.1513    0.8269 C   0  0  0  0  0
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    2.9278    1.0343   -4.4259 O   0  0  0  0  0
    1.6906    2.1463   -0.6521 H   0  0  0  0  0
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    1.4564   -0.0716   -2.7372 H   0  0  0  0  0
    0.6320    1.4777   -2.8011 H   0  0  0  0  0
    4.9124    1.2601   -3.0262 H   0  0  0  0  0
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    4.1028   -0.6355   -1.8778 H   0  0  0  0  0
    4.9783    0.3354   -0.7140 H   0  0  0  0  0
    2.4410   -0.7746   -0.4803 H   0  0  0  0  0
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    4.5652   -2.0266   -0.0449 H   0  0  0  0  0
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    4.1828    4.5192    3.3423 H   0  0  0  0  0
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    1.4921    2.0183   -5.5139 H   0  0  0  0  0
    3.1012    1.9580   -6.2869 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL456053

>  <PubChem CID>
44581615

>  <Formula>
C26H25ClN2O2S

>  <Molecular Weight>
465.008000

>  <IUPAC Name>
2-(1-benzothiophen-3-yl)-5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2(CCC1N3C(=CN=C3C4=CSC5=CC=CC=C54)CC6=CC=C(C=C6)Cl)OCCO2

>  <Isomeric SMILES>
C1CC2(CCC1N3C(=CN=C3C4=CSC5=CC=CC=C54)CC6=CC=C(C=C6)Cl)OCCO2

>  <InChI Std. ID>
InChI=1S/C26H25ClN2O2S/c27-19-7-5-18(6-8-19)15-21-16-28-25(23-17-32-24-4-2-1-3-22(23)24)29(21)20-9-11-26(12-10-20)30-13-14-31-26/h1-8,16-17,20H,9-15H2

>  <InChI Key>
BPTRIBNSVMBJGJ-UHFFFAOYSA-N

