General Information of the Compound
| Compound ID |
CP0351991
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
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| Structure |
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| Formula |
C28H31F2N5O6S
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| Molecular Weight |
603.648
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| Canonical SMILES |
COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(CCO)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
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| InChI |
InChI=1S/C28H31F2N5O6S/c1-33(12-14-40-2)15-20-23-25(37)34(11-13-36)28(39)35(16-19-21(29)5-4-6-22(19)30)26(23)42-24(20)17-7-9-18(10-8-17)31-27(38)32-41-3/h4-10,36H,11-16H2,1-3H3,(H2,31,32,38)
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| InChIKey |
FGGWCOLDQRWNMZ-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