General Information of the Compound
| Compound ID |
CP0502353
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C21H13ClF3N5O4
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| Molecular Weight |
491.813
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)c(=O)[nH]c34)cc2)ccc1Cl
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| InChI |
InChI=1S/C21H13ClF3N5O4/c22-14-6-3-11(9-13(14)21(23,24)25)28-20(33)27-10-1-4-12(5-2-10)34-15-7-8-26-17-16(15)29-18(31)19(32)30-17/h1-9H,(H,29,31)(H,26,30,32)(H2,27,28,33)
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| InChIKey |
ULZMHWWYNDHBMV-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