General Information of the Compound
| Compound ID |
CP0555040
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| Compound Name |
(2S,3R,4aR,10aR)-4a-ethyl-3-methyl-2-prop-2-enyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C20H28O3
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| Molecular Weight |
316.441
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@](O)(CC=C)C[C@H]1CCc1cc(O)ccc21
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| InChI |
InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-9,11,15,21-23H,1,5-7,10,12-13H2,2-3H3/t15-,18-,19-,20+/m1/s1
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| InChIKey |
LICOXDHXTVWUKR-XLNTUCKNSA-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