General Information of the Compound
| Compound ID |
CP0545336
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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]-2-methylsulfanylphenyl]urea
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| Structure |
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| Formula |
C22H15ClF3N5O4S
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| Molecular Weight |
537.907
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| Canonical SMILES |
CSc1cc(Oc2ccnc3[nH]c(=O)c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H15ClF3N5O4S/c1-36-16-9-11(35-15-6-7-27-18-17(15)30-19(32)20(33)31-18)3-5-14(16)29-21(34)28-10-2-4-13(23)12(8-10)22(24,25)26/h2-9H,1H3,(H,30,32)(H,27,31,33)(H2,28,29,34)
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| InChIKey |
BSEREXRCITZTEW-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