General Information of the Compound
| Compound ID |
CP0435260
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| Compound Name |
10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)decanoic acid
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| Structure |
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| Formula |
C29H48O4
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| Molecular Weight |
460.699
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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| InChIKey |
GEBZVFIRTDLBNY-VPOZCLCWSA-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