General Information of the Compound
| Compound ID |
CP0445052
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| Compound Name |
(8S,11R,13S,14S,17R)-11-[4-[ethoxy(methyl)phosphoryl]phenyl]-13-methyl-3'-methylidenespiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
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| Structure |
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| Formula |
C31H39O4P
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| Molecular Weight |
506.623
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| Canonical SMILES |
CCOP(C)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C31H39O4P/c1-5-35-36(4,33)24-10-6-21(7-11-24)27-19-30(3)28(14-16-31(30)20(2)15-17-34-31)26-12-8-22-18-23(32)9-13-25(22)29(26)27/h6-7,10-11,18,26-28H,2,5,8-9,12-17,19H2,1,3-4H3/t26-,27+,28-,30-,31+,36?/m0/s1
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| InChIKey |
LWYLVQVGWUQBSI-IDAMKAECSA-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