General Information of the Compound
| Compound ID |
CP0298247
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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 methylcarbamate
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| Structure |
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| Formula |
C22H22ClF2N3O2
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| Molecular Weight |
433.886
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| Canonical SMILES |
CNC(=O)O[C@@H]1[C@@H](C)c2c(F)c(c(F)cc2NC1(C)C)-c1cccc2c(Cl)c[nH]c12
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| InChI |
InChI=1S/C22H22ClF2N3O2/c1-10-16-15(28-22(2,3)20(10)30-21(29)26-4)8-14(24)17(18(16)25)12-7-5-6-11-13(23)9-27-19(11)12/h5-10,20,27-28H,1-4H3,(H,26,29)/t10-,20+/m0/s1
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| InChIKey |
IDTNHWABXAOVGP-WVDJIFEKSA-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