General Information of the Compound
| Compound ID |
CP0333656
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| Compound Name |
methyl 4-[[(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-yl]oxycarbonylamino]benzoate
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| Structure |
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| Formula |
C29H27F2N3O4
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| Molecular Weight |
519.548
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(NC2(C)C)cc(F)c(c3F)-c2cccc3cc[nH]c23)cc1
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| InChI |
InChI=1S/C29H27F2N3O4/c1-15-22-21(14-20(30)23(24(22)31)19-7-5-6-16-12-13-32-25(16)19)34-29(2,3)26(15)38-28(36)33-18-10-8-17(9-11-18)27(35)37-4/h5-15,26,32,34H,1-4H3,(H,33,36)/t15-,26+/m0/s1
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| InChIKey |
RKWUBBSWFVETMO-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