General Information of the Compound
| Compound ID |
CP0320371
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| Compound Name |
(2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C22H26O3
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| Molecular Weight |
338.447
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| Canonical SMILES |
CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
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| InChI |
InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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| InChIKey |
KVPALVACWJUWHG-BRKWEVRTSA-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