General Information of the Compound
| Compound ID |
CP0458273
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| Compound Name |
(5S,6R)-2-fluoro-5-[(7-fluoro-2-methylquinazolin-5-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-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 |
Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1
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| InChI |
InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1
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| InChIKey |
DKRLPRIDPDZTJN-PZJWPPBQSA-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