General Information of the Compound
| Compound ID |
CP0353543
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| Compound Name |
(+/-)-(3R,4S)-5-chloro-8-fluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-ol
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| Structure |
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| Formula |
C20H20ClFN2O
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| Molecular Weight |
358.844
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| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(F)cc(c(Cl)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C20H20ClFN2O/c1-10-15-16(21)13(12-6-4-5-11-7-8-23-17(11)12)9-14(22)18(15)24-20(2,3)19(10)25/h4-10,19,23-25H,1-3H3/t10-,19+/m0/s1
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| InChIKey |
LLXFDJBUWABDDG-APBUJDDRSA-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