General Information of the Compound
| Compound ID |
CP0363003
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| Compound Name |
1-[5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)-6-propan-2-yloxypyridin-2-yl]oxy-2-methylpropan-2-ol
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| Formula |
C20H27NO6S
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| Molecular Weight |
409.504
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| Canonical SMILES |
CC(C)Oc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H27NO6S/c1-13(2)27-18-15(11-22)10-17(19(21-18)26-12-20(3,4)23)14-6-8-16(9-7-14)28(5,24)25/h6-10,13,22-23H,11-12H2,1-5H3
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| InChIKey |
WNRSHKBWGXMBIJ-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