General Information of the Compound
| Compound ID |
CP0412319
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-11-(4-ethylphenyl)-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 |
C32H40O2
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| Molecular Weight |
456.67
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| Canonical SMILES |
CCc1ccc(cc1)[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/C32H40O2/c1-6-21-7-9-22(10-8-21)27-20-31(5)28(15-16-32(31,34)18-17-30(2,3)4)26-13-11-23-19-24(33)12-14-25(23)29(26)27/h7-10,19,26-28,34H,6,11-16,20H2,1-5H3/t26-,27+,28-,31-,32+/m0/s1
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| InChIKey |
GHPFPMOXWGCSJN-SSKMXYOESA-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