General Information of the Compound
| Compound ID |
CP0901022
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| Compound Name |
2-(benzo[d][1,3]dioxol-5-yl)-2-(4-((2-ethyl-4,6-dimethyl-1H-benzo[d]imidazol-1-yl)methyl)-2-propylphenoxy)-N-(4-isopropylphenylsulfonyl)acetamide
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| Structure |
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| Formula |
C39H43N3O6S
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| Molecular Weight |
681.855
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)cc32)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2
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| InChI |
InChI=1S/C39H43N3O6S/c1-7-9-29-20-27(22-42-32-19-25(5)18-26(6)37(32)40-36(42)8-2)10-16-33(29)48-38(30-13-17-34-35(21-30)47-23-46-34)39(43)41-49(44,45)31-14-11-28(12-15-31)24(3)4/h10-21,24,38H,7-9,22-23H2,1-6H3,(H,41,43)
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| InChIKey |
GZABEWFFPRCWQI-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