General Information of the Compound
| Compound ID |
CP0294135
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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 3-cyanophenylcarbamate
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| Structure |
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| Formula |
C28H24F2N4O2
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| Molecular Weight |
486.522
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C#N)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C28H24F2N4O2/c1-15-22-21(13-20(29)23(24(22)30)19-9-5-7-17-10-11-32-25(17)19)34-28(2,3)26(15)36-27(35)33-18-8-4-6-16(12-18)14-31/h4-13,15,26,32,34H,1-3H3,(H,33,35)/t15-,26+/m0/s1
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| InChIKey |
DIAWBONHWJRWKZ-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