General Information of the Compound
| Compound ID |
CP0506034
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| Compound Name |
2-(benzo[b]thiophen-3-yl)-5-(cyclohexylmethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
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| Structure |
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| Formula |
C26H32N2O2S
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| Molecular Weight |
436.621
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| Canonical SMILES |
C(C1CCCCC1)c1cnc(-c2csc3ccccc23)n1C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C26H32N2O2S/c1-2-6-19(7-3-1)16-21-17-27-25(23-18-31-24-9-5-4-8-22(23)24)28(21)20-10-12-26(13-11-20)29-14-15-30-26/h4-5,8-9,17-20H,1-3,6-7,10-16H2
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| InChIKey |
QXEAZKZAJJJXTD-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