General Information of the Compound
| Compound ID |
CP0523129
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(4-(diphenylphosphoryl)phenyl)-17-hydroxy-13-methyl-17-phenyl-1,2,7,8,11,12,13,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3(14H)-one
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| Structure |
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| Formula |
C42H41O3P
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| Molecular Weight |
624.761
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C42H41O3P/c1-41-28-38(29-17-21-35(22-18-29)46(45,33-13-7-3-8-14-33)34-15-9-4-10-16-34)40-36-24-20-32(43)27-30(36)19-23-37(40)39(41)25-26-42(41,44)31-11-5-2-6-12-31/h2-18,21-22,27,37-39,44H,19-20,23-26,28H2,1H3/t37-,38+,39-,41-,42+/m0/s1
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| InChIKey |
QAJXXFBIGIATMT-BYCPBFBASA-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