General Information of the Compound
| Compound ID |
CP0543142
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| Compound Name |
1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
CN1CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C23H21F3N4O2/c1-29-14-15-30(21-9-5-4-8-20(21)29)19-7-3-2-6-18(19)28-22(31)27-16-10-12-17(13-11-16)32-23(24,25)26/h2-13H,14-15H2,1H3,(H2,27,28,31)
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| InChIKey |
LUAFYSGRSJFMFG-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