General Information of the Compound
| Compound ID |
CP0302550
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| Compound Name |
(2R,3R,4aR,10aS)-4a-ethyl-2,3,7-trihydroxy-3-methyl-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one
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| Structure |
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| Formula |
C23H26O4
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| Molecular Weight |
366.457
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(O)ccc21)c1ccccc1
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| InChI |
InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
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| InChIKey |
WJONSVSPXOEVBZ-HKDUHGGJSA-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