General Information of the Compound
| Compound ID |
CP0225062
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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 4-acetylphenylcarbamate
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| Structure |
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| Formula |
C29H27F2N3O3
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| Molecular Weight |
503.549
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/m0/s1
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| InChIKey |
PEEQAQFTZGENDO-KUNJGFBQSA-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