General Information of the Compound
| Compound ID |
CP0517917
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]thiourea
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| Structure |
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| Formula |
C19H14ClF4N5OS
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| Molecular Weight |
471.867
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1
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| InChI |
InChI=1S/C19H14ClF4N5OS/c1-25-16-8-17(27-9-26-16)30-15-5-3-11(7-14(15)21)29-18(31)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,31)
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| InChIKey |
AEWLPODVJHBAPQ-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