General Information of the Compound
| Compound ID |
CP0524396
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| Compound Name |
2-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-4-methyl-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
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| Structure |
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| Formula |
C27H27ClN2O2S
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| Molecular Weight |
479.045
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| Canonical SMILES |
Cc1nc(-c2csc3ccccc23)n(C2CCC3(CC2)OCCO3)c1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H27ClN2O2S/c1-18-24(16-19-6-8-20(28)9-7-19)30(21-10-12-27(13-11-21)31-14-15-32-27)26(29-18)23-17-33-25-5-3-2-4-22(23)25/h2-9,17,21H,10-16H2,1H3
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| InChIKey |
CIWRQMNFWFPMGA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound