General Information of the Compound
| Compound ID |
CP0447951
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| Compound Name |
(8R,9S,13S,14S,17R)-13-methyl-17-[(4-phenylmethoxyphenyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C32H36O3
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| Molecular Weight |
468.637
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C32H36O3/c1-31-17-15-28-27-14-10-25(33)19-24(27)9-13-29(28)30(31)16-18-32(31,34)20-22-7-11-26(12-8-22)35-21-23-5-3-2-4-6-23/h2-8,10-12,14,19,28-30,33-34H,9,13,15-18,20-21H2,1H3/t28-,29-,30+,31+,32-/m1/s1
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| InChIKey |
STGCETMTTUWWIG-DSSMMGBBSA-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