General Information of the Compound
| Compound ID |
CP0564728
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| Compound Name |
1-[3-fluoro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
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| Structure |
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| Formula |
C19H15F4N5OS
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| Molecular Weight |
437.422
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)cc2F)ncn1
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| InChI |
InChI=1S/C19H15F4N5OS/c1-24-16-9-17(26-10-25-16)29-15-6-5-13(8-14(15)20)28-18(30)27-12-4-2-3-11(7-12)19(21,22)23/h2-10H,1H3,(H,24,25,26)(H2,27,28,30)
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| InChIKey |
DGVQBEQHOGBTQQ-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