General Information of the Compound
| Compound ID |
CP0447929
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| Compound Name |
1-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)urea
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| Structure |
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| Formula |
C20H20F3N5O2
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| Molecular Weight |
419.407
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| Canonical SMILES |
Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(N)=O)c1=O
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| InChI |
InChI=1S/C20H20F3N5O2/c1-12-18(29)28(8-7-25-19(24)30)17-10-15(5-6-16(17)27-12)26-11-13-3-2-4-14(9-13)20(21,22)23/h2-6,9-10,26H,7-8,11H2,1H3,(H3,24,25,30)
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| InChIKey |
APYONNMRNATNGB-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