General Information of the Compound
| Compound ID |
CP0455127
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| Compound Name |
N-[2-[3-(4-ethylphenyl)-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C28H27F3N4O2
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| Molecular Weight |
508.544
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O
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| InChI |
InChI=1S/C28H27F3N4O2/c1-3-19-7-9-21(10-8-19)26-27(37)35(14-13-32-18(2)36)25-16-23(11-12-24(25)34-26)33-17-20-5-4-6-22(15-20)28(29,30)31/h4-12,15-16,33H,3,13-14,17H2,1-2H3,(H,32,36)
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| InChIKey |
VGNKDMGXJAFLHP-UHFFFAOYSA-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