General Information of the Compound
| Compound ID |
CP0333655
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| Compound Name |
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl benzo[d][1,3]dioxol-5-ylcarbamate
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| Structure |
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| Formula |
C28H25F2N3O4
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| Molecular Weight |
505.521
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)Nc2ccc3OCOc3c2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C28H25F2N3O4/c1-14-22-19(12-18(29)23(24(22)30)17-6-4-5-15-9-10-31-25(15)17)33-28(2,3)26(14)37-27(34)32-16-7-8-20-21(11-16)36-13-35-20/h4-12,14,26,31,33H,13H2,1-3H3,(H,32,34)/t14-,26+/m0/s1
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| InChIKey |
NFDKLTXYOHDKAJ-RMKBEBRYSA-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