General Information of the Compound
| Compound ID |
CP0505593
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| Compound Name |
ethoxy-[4-[(8S,11R,13S,14S,17R)-13-methyl-3'-methylidene-3-oxospiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-11-yl]phenyl]phosphinic acid
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| Structure |
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| Formula |
C30H37O5P
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| Molecular Weight |
508.595
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| Canonical SMILES |
CCOP(O)(=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/C30H37O5P/c1-4-35-36(32,33)23-9-5-20(6-10-23)26-18-29(3)27(13-15-30(29)19(2)14-16-34-30)25-11-7-21-17-22(31)8-12-24(21)28(25)26/h5-6,9-10,17,25-27H,2,4,7-8,11-16,18H2,1,3H3,(H,32,33)/t25-,26+,27-,29-,30+/m0/s1
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| InChIKey |
JAKSSRUUMBEEAC-ONBAZCQBSA-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