General Information of the Compound
| Compound ID |
CP0449418
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| Compound Name |
(8R,9S,13S,14S,17S)-13-methyl-17-octyl-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 |
C26H40O2
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| Molecular Weight |
384.604
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| Canonical SMILES |
CCCCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C26H40O2/c1-3-4-5-6-7-8-15-26(28)17-14-24-23-11-9-19-18-20(27)10-12-21(19)22(23)13-16-25(24,26)2/h10,12,18,22-24,27-28H,3-9,11,13-17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
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| InChIKey |
COLFGKOFPAJXPX-JMTTVTNBSA-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