General Information of the Compound
| Compound ID |
CP0407741
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| Compound Name |
(8R,9S,13S,14S,17S)-17-dodecyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C30H48O2
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| Molecular Weight |
440.712
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| Canonical SMILES |
CCCCCCCCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-19-30(32)21-18-28-27-15-13-23-22-24(31)14-16-25(23)26(27)17-20-29(28,30)2/h14,16,22,26-28,31-32H,3-13,15,17-21H2,1-2H3/t26-,27-,28+,29+,30+/m1/s1
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| InChIKey |
CARVNMJJLXTUIH-ZNOUKXQUSA-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