General Information of the Compound
| Compound ID |
CP0091080
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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 benzylcarbamate
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| Structure |
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| Formula |
C28H26ClF2N3O2
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| Molecular Weight |
509.984
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)NCc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12
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| InChI |
InChI=1S/C28H26ClF2N3O2/c1-15-22-21(34-28(2,3)26(15)36-27(35)33-13-16-8-5-4-6-9-16)12-20(30)23(24(22)31)18-11-7-10-17-19(29)14-32-25(17)18/h4-12,14-15,26,32,34H,13H2,1-3H3,(H,33,35)/t15-,26+/m0/s1
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| InChIKey |
FMZKGKLLLCYGJW-QWXGXRTQSA-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