General Information of the Compound
| Compound ID |
CP0427957
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| Compound Name |
6-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)butyl)phenoxy)hexanoic acid
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| Structure |
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| Formula |
C36H52O5
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| Molecular Weight |
564.807
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| Canonical SMILES |
C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C36H52O5/c1-34-19-16-28(37)24-27(34)23-26(33-30(34)17-20-35(2)31(33)18-21-36(35,3)40)10-7-6-9-25-12-14-29(15-13-25)41-22-8-4-5-11-32(38)39/h12-15,24,26,30-31,33,40H,4-11,16-23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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| InChIKey |
ZAJTZVLPUGMDSS-JMCVDYJPSA-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