General Information of the Compound
| Compound ID |
CP0034673
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| Compound Name |
(3S,10R,13S,17S,E)-10-(2-methoxyvinyl)-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C21H32O3
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| Molecular Weight |
332.484
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| Canonical SMILES |
CO\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21
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| InChI |
InChI=1S/C21H32O3/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h3,11-12,15-19,22-23H,4-10,13H2,1-2H3/b12-11+/t15-,16?,17?,18?,19-,20-,21+/m0/s1
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| InChIKey |
OTRGSZVOULSZGL-IUQAPEEWSA-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