General Information of the Compound
| Compound ID |
CP0470985
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| Compound Name |
(8S,9R,10R,11S,13S,14S,17S)-17-hydroxy-11-(4-methoxyphenyl)-10,13-dimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H36O3
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| Molecular Weight |
432.604
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12
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| InChI |
InChI=1S/C29H36O3/c1-5-14-29(31)16-13-25-23-11-8-20-17-21(30)12-15-27(20,2)26(23)24(18-28(25,29)3)19-6-9-22(32-4)10-7-19/h6-7,9-10,17,23-26,31H,8,11-13,15-16,18H2,1-4H3/t23-,24+,25-,26+,27-,28-,29-/m0/s1
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| InChIKey |
SWLSHPWYSWBPQE-DYAISBIGSA-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
Protein ID: PT01172, Progesterone receptor