General Information of the Compound
| Compound ID |
CP0421361
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| Compound Name |
[4-[6-(4-methylphenyl)sulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] 4-methylbenzenesulfonate
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| Structure |
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| Formula |
C42H39NO8S3
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| Molecular Weight |
781.974
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C42H39NO8S3/c1-29-6-19-36(20-7-29)53(45,46)50-34-16-12-32(13-17-34)42-40(41(44)31-10-14-33(15-11-31)49-27-26-43-24-4-3-5-25-43)38-23-18-35(28-39(38)52-42)51-54(47,48)37-21-8-30(2)9-22-37/h6-23,28H,3-5,24-27H2,1-2H3
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| InChIKey |
OOPLOMGLBMZVNN-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