General Information of the Compound
| Compound ID |
CP0445053
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| Compound Name |
methyl-[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 |
C29H35O4P
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| Molecular Weight |
478.569
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21OCCC1=C)c1ccc(cc1)P(C)(O)=O
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| InChI |
InChI=1S/C29H35O4P/c1-18-13-15-33-29(18)14-12-26-24-10-6-20-16-21(30)7-11-23(20)27(24)25(17-28(26,29)2)19-4-8-22(9-5-19)34(3,31)32/h4-5,8-9,16,24-26H,1,6-7,10-15,17H2,2-3H3,(H,31,32)/t24-,25+,26-,28-,29+/m0/s1
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| InChIKey |
USFFLHDSLPEFIH-QYQUYBGJSA-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