General Information of the Compound
| Compound ID |
CP0574700
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| Compound Name |
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-ethyl-6-hydroxyoctan-2-yl]-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
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| Structure |
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| Formula |
C31H54O3
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| Molecular Weight |
474.77
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| Canonical SMILES |
CCC(O)(CC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C31H54O3/c1-8-31(34,9-2)16-10-11-20(3)21-12-13-22-27-23(14-17-29(21,22)6)30(7)18-15-26(33)28(4,5)25(30)19-24(27)32/h19-24,26-27,32-34H,8-18H2,1-7H3/t20-,21-,22+,23+,24+,26+,27+,29-,30-/m1/s1
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| InChIKey |
YJUGYSCPDXHKSO-IUPFMSFUSA-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