General Information of the Compound
| Compound ID |
CP0404498
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| Compound Name |
(5S,6R,8R)-8-ethyl-2-fluoro-5-[(7-fluoro-2-methylquinazolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
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| Structure |
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| Formula |
C22H20F5N3O2
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| Molecular Weight |
453.411
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| Canonical SMILES |
CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F
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| InChI |
InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1
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| InChIKey |
HXWXJCYFLVBYHO-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