General Information of the Compound
| Compound ID |
CP0049750
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| Compound Name |
(+/-)-(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinolin-3-ol
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| Structure |
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| Formula |
C21H23FN2O
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| Molecular Weight |
338.426
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| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)c(F)c(cc12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C21H23FN2O/c1-11-15-10-16(14-7-5-6-13-8-9-23-19(13)14)17(22)12(2)18(15)24-21(3,4)20(11)25/h5-11,20,23-25H,1-4H3/t11-,20+/m0/s1
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| InChIKey |
RYQSXLJYWKYPCX-PRWKNARSSA-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