General Information of the Compound
| Compound ID |
CP0428888
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| Compound Name |
1-[3-fluoro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-phenylthiourea
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| Structure |
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| Formula |
C18H16FN5OS
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| Molecular Weight |
369.425
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2F)ncn1
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| InChI |
InChI=1S/C18H16FN5OS/c1-20-16-10-17(22-11-21-16)25-15-8-7-13(9-14(15)19)24-18(26)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,22)(H2,23,24,26)
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| InChIKey |
JRGVJPCQXIRWRD-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