General Information of the Compound
| Compound ID |
CP0392522
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| Compound Name |
7-Chloro-4-[2-((R)-1-methyl-6-trifluoromethyl-piperidin-2-yl)-ethoxy]-2-oxo-3-((S)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide
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| Structure |
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| Formula |
C32H33ClF3N5O3
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| Molecular Weight |
628.095
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| Canonical SMILES |
CN1[C@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2ccncn2)CCC[C@@H]1C(F)(F)F
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| InChI |
InChI=1S/C32H33ClF3N5O3/c1-17-12-20(13-18(2)19(17)3)28-29(44-11-9-21-6-5-7-26(41(21)4)32(34,35)36)23-14-22(24(33)15-25(23)39-31(28)43)30(42)40-27-8-10-37-16-38-27/h8,10,12-16,21,26H,5-7,9,11H2,1-4H3,(H,39,43)(H,37,38,40,42)/t21-,26+/m0/s1
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| InChIKey |
ZUTIZSMLCDYNNR-HFZDXXHNSA-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