General Information of the Compound
| Compound ID |
CP0391734
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| Compound Name |
(8R,9S,13S,14S,17S)-13-methyl-17-phenyl-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 |
C24H28O2
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| Molecular Weight |
348.486
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1ccccc1
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| InChI |
InChI=1S/C24H28O2/c1-23-13-11-20-19-10-8-18(25)15-16(19)7-9-21(20)22(23)12-14-24(23,26)17-5-3-2-4-6-17/h2-6,8,10,15,20-22,25-26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,24-/m1/s1
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| InChIKey |
VSIMDGDJOGYVHX-URYYLNOGSA-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