General Information of the Compound
| Compound ID |
CP0289252
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| Compound Name |
(2R,4aR,10aR)-4a-Propyl-2-prop-1-ynyl-1,2,3,4,4a,9,10,10aoctahydro-phenanthrene-2,7-diol
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| Structure |
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| Formula |
C20H26O2
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| Molecular Weight |
298.426
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| Canonical SMILES |
CCC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
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| InChI |
InChI=1S/C20H26O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h7-8,13,16,21-22H,4-6,10-12,14H2,1-2H3/t16-,19-,20-/m1/s1
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| InChIKey |
RGAJTKFRBSFZLX-NSISKUIASA-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