General Information of the Compound
| Compound ID |
CP0396797
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| Compound Name |
(8R,9S,10R,11S,13S,14S,17S)-11-[4-(diethylamino)phenyl]-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C34H47NO2
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| Molecular Weight |
501.755
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12
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| InChI |
InChI=1S/C34H47NO2/c1-7-35(8-2)25-12-9-23(10-13-25)29-22-33(6)30(17-18-34(33,37)20-19-32(3,4)5)28-15-11-24-21-26(36)14-16-27(24)31(28)29/h9-10,12-13,21,27-31,37H,7-8,11,14-18,22H2,1-6H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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| InChIKey |
HYTRMSLXHBYETF-KMSLUKAPSA-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