General Information of the Compound
| Compound ID |
CP0404497
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| Compound Name |
(5S,6R,8R)-2-fluoro-8-methyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
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| Structure |
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| Formula |
C22H20F4N2O2
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| Molecular Weight |
420.406
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| Canonical SMILES |
C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F
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| InChI |
InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1
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| InChIKey |
ZMTPDHABBWHKPP-FAORDRHVSA-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor