General Information of the Compound
| Compound ID |
CP0458274
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| Compound Name |
(5S,6R,8R)-8-ethyl-2-fluoro-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 |
C23H22F4N2O2
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| Molecular Weight |
434.433
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| Canonical SMILES |
CC[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/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1
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| InChIKey |
CIIHIZKWQHRFRR-BGUDKVOASA-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