General Information of the Compound
| Compound ID |
CP0084907
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| Compound Name |
[(4bR,6R,7R,8aS)-4b-ethyl-6,7-dihydroxy-6-methyl-10-oxo-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl] benzoate
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| Structure |
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| Formula |
C30H30O5
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| Molecular Weight |
470.565
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CC(=O)c1cc(OC(=O)c3ccccc3)ccc21)c1ccccc1
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| InChI |
InChI=1S/C30H30O5/c1-3-29-19-28(2,33)30(34,21-12-8-5-9-13-21)18-22(29)16-26(31)24-17-23(14-15-25(24)29)35-27(32)20-10-6-4-7-11-20/h4-15,17,22,33-34H,3,16,18-19H2,1-2H3/t22-,28-,29-,30-/m1/s1
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| InChIKey |
WVIFMGUBKMMSRJ-TXDQJMHASA-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