General Information of the Compound
| Compound ID |
CP0298248
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| Compound Name |
(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl 3-chloro-4-methoxyphenylcarbamate
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| Structure |
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| Formula |
C28H25Cl2F2N3O3
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| Molecular Weight |
560.428
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| Canonical SMILES |
COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl
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| InChI |
InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1
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| InChIKey |
XGOWPHQTSIPOSD-WHDAMIPWSA-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
Cell-based Assay