General Information of the Compound
| Compound ID |
CP0455849
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| Compound Name |
[4-[6-cyclohexylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] cyclohexanesulfonate
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| Structure |
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| Formula |
C40H47NO8S3
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| Molecular Weight |
766.016
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| Canonical SMILES |
O=C(c1c(sc2cc(OS(=O)(=O)C3CCCCC3)ccc12)-c1ccc(OS(=O)(=O)C2CCCCC2)cc1)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C40H47NO8S3/c42-39(29-14-18-31(19-15-29)47-27-26-41-24-8-3-9-25-41)38-36-23-22-33(49-52(45,46)35-12-6-2-7-13-35)28-37(36)50-40(38)30-16-20-32(21-17-30)48-51(43,44)34-10-4-1-5-11-34/h14-23,28,34-35H,1-13,24-27H2
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| InChIKey |
HIYCUQXGGFBPJC-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