General Information of the Compound
| Compound ID |
CP0115132
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| Compound Name |
(2R,3R,4aR,10aR)-4a-ethyl-3-methyl-2-(4-methylphenyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C24H30O3
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| Molecular Weight |
366.501
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccc(C)cc1
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| InChI |
InChI=1S/C24H30O3/c1-4-23-15-22(3,26)24(27,18-8-5-16(2)6-9-18)14-19(23)10-7-17-13-20(25)11-12-21(17)23/h5-6,8-9,11-13,19,25-27H,4,7,10,14-15H2,1-3H3/t19-,22-,23-,24-/m1/s1
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| InChIKey |
JSEFCPKOHDEAAB-OTUUDDROSA-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