General Information of the Compound
| Compound ID |
CP0200751
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| Compound Name |
(7S,8R,9S,13S,14S,17S)-7-(4-bromophenyl)sulfanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol
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| Structure |
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| Formula |
C24H27BrO3S
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| Molecular Weight |
475.448
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31
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| InChI |
InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1
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| InChIKey |
XEKKTAYAEIHJEA-IFDMWSDSSA-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