General Information of the Compound
| Compound ID |
CP0564015
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| Compound Name |
2-[4-[[3-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C27H28O6S
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| Molecular Weight |
480.582
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| Canonical SMILES |
Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C27H28O6S/c1-18-12-24(33-15-20-6-7-20)13-19(2)27(18)22-5-3-4-21(14-22)16-32-23-8-10-25(11-9-23)34(30,31)17-26(28)29/h3-5,8-14,20H,6-7,15-17H2,1-2H3,(H,28,29)
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| InChIKey |
BHEDHMJAJBLHDH-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