General Information of the Compound
| Compound ID |
CP0427956
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| Compound Name |
8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)octanoic acid
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| Structure |
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| Formula |
C27H44O4
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| Molecular Weight |
432.645
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C27H44O4/c1-26-14-12-20(28)17-19(26)16-18(8-6-4-3-5-7-9-24(30)31)25-21-10-11-23(29)27(21,2)15-13-22(25)26/h18-19,21-23,25,29H,3-17H2,1-2H3,(H,30,31)/t18-,19+,21+,22+,23+,25+,26+,27+/m1/s1
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| InChIKey |
QGWKCCSGOXJJRG-IBTVHNEASA-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