General Information of the Compound
| Compound ID |
CP0426944
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(4-diethoxyphosphorylphenyl)-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 |
C31H39O5P
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| Molecular Weight |
522.622
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| Canonical SMILES |
CCOP(=O)(OCC)c1ccc(cc1)[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/C31H39O5P/c1-5-17-31(33)18-16-28-26-14-10-22-19-23(32)11-15-25(22)29(26)27(20-30(28,31)4)21-8-12-24(13-9-21)37(34,35-6-2)36-7-3/h8-9,12-13,19,26-28,33H,6-7,10-11,14-16,18,20H2,1-4H3/t26-,27+,28-,30-,31-/m0/s1
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| InChIKey |
SUBXROOMJNLXRP-PABOLRIOSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor