General Information of the Compound
| Compound ID |
CP0422768
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| Compound Name |
(8S,11R,13S,14S,17S)-11-cyclohexyl-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 |
C27H36O2
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| Molecular Weight |
392.583
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)C1CCCCC1
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| InChI |
InChI=1S/C27H36O2/c1-3-14-27(29)15-13-24-22-11-9-19-16-20(28)10-12-21(19)25(22)23(17-26(24,27)2)18-7-5-4-6-8-18/h16,18,22-24,29H,4-13,15,17H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1
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| InChIKey |
RVWWESSSUJEMIS-YEEPMTPTSA-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