General Information of the Compound
| Compound ID |
CP0427239
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| Compound Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)-3-methylphenyl]-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-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 |
C33H43NO2
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| Molecular Weight |
485.712
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| Canonical SMILES |
CN(C)c1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1
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| InChIKey |
PWLQZIZXAQFNOL-ODIWJFPJSA-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