General Information of the Compound
| Compound ID |
CP0050490
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-3-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
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| Structure |
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| Formula |
C33H33F2N5O6S
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| Molecular Weight |
665.719
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| Canonical SMILES |
COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
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| InChI |
InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)
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| InChIKey |
CNDRKNVYBJEVFY-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