General Information of the Compound
| Compound ID |
CP0524303
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| Compound Name |
(2R,3S,4aR,10aR)-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C23H28O3
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| Molecular Weight |
352.474
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| Canonical SMILES |
CC[C@@]12C[C@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
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| InChI |
InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21+,22-,23-/m1/s1
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| InChIKey |
VWFKACUYWYZVSW-YJSIEXFISA-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