General Information of the Compound
| Compound ID |
CP0466627
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| Compound Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H32F3NO2
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| Molecular Weight |
483.574
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C29H32F3NO2/c1-27-17-24(18-4-7-20(8-5-18)33(2)3)26-22-11-9-21(34)16-19(22)6-10-23(26)25(27)12-13-28(27,35)14-15-29(30,31)32/h4-5,7-8,16,23-25,35H,6,9-13,17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
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| InChIKey |
CXCDEWIEWDHXKL-YTFMROOWSA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor