General Information of the Compound
| Compound ID |
CP0071732
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| Compound Name |
(2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol
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| Structure |
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| Formula |
C22H26O2
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| Molecular Weight |
322.448
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| Canonical SMILES |
CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
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| InChI |
InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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| InChIKey |
QTOLHRDDANXQPI-STZQEDGTSA-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