General Information of the Compound
| Compound ID |
CP0282306
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| Compound Name |
(2S,3R,4aR,10aR)-4a-ethyl-3-methyl-2-(1,3-thiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C20H25NO3S
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| Molecular Weight |
359.491
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1nccs1
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| InChI |
InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1
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| InChIKey |
JJKRJVYCNAXILF-LMFCIFFHSA-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