General Information of the Compound
| Compound ID |
CP0218142
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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 isopropylcarbamate
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| Structure |
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| Formula |
C24H26ClF2N3O2
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| Molecular Weight |
461.94
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| Canonical SMILES |
CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12
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| InChI |
InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/m0/s1
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| InChIKey |
FEKIYUBTGQLEBI-AMXDTQDGSA-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