General Information of the Compound
| Compound ID |
CP0455850
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| Compound Name |
[4-[6-ethylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] ethanesulfonate
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| Structure |
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| Formula |
C32H35NO8S3
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| Molecular Weight |
657.832
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| Canonical SMILES |
CCS(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(=O)(=O)CC)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C32H35NO8S3/c1-3-43(35,36)40-26-14-10-24(11-15-26)32-30(28-17-16-27(22-29(28)42-32)41-44(37,38)4-2)31(34)23-8-12-25(13-9-23)39-21-20-33-18-6-5-7-19-33/h8-17,22H,3-7,18-21H2,1-2H3
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| InChIKey |
HKSCYMBRWDHPOE-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