General Information of the Compound
| Compound ID |
CP0419787
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| Compound Name |
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl]-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C17H20O4
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| Molecular Weight |
288.343
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| Canonical SMILES |
CC(C)(c1ccc(O)c(CO)c1)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C17H20O4/c1-17(2,13-3-5-15(20)11(7-13)9-18)14-4-6-16(21)12(8-14)10-19/h3-8,18-21H,9-10H2,1-2H3
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| InChIKey |
BYIRAHKGUFQVRE-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