General Information of the Compound
| Compound ID |
CP0466439
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| Compound Name |
(8S,11S,13S,14S,17S)-11-ethyl-17-hydroxy-13-methyl-17-prop-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 |
C23H30O2
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| Molecular Weight |
338.491
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| Canonical SMILES |
CC[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C23H30O2/c1-4-11-23(25)12-10-20-19-8-6-16-13-17(24)7-9-18(16)21(19)15(5-2)14-22(20,23)3/h13,15,19-20,25H,5-10,12,14H2,1-3H3/t15-,19-,20-,22-,23-/m0/s1
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| InChIKey |
CIUYFFKCKVMDHE-UFEFDCGUSA-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