General Information of the Compound
| Compound ID |
CP0143092
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
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| Structure |
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| Formula |
C33H34F2N6O6S2
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| Molecular Weight |
712.801
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| Canonical SMILES |
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCN(C)S(C)(=O)=O
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| InChI |
InChI=1S/C33H34F2N6O6S2/c1-38(17-18-39(2)49(4,45)46)19-25-28-30(42)41(23-9-6-5-7-10-23)33(44)40(20-24-26(34)11-8-12-27(24)35)31(28)48-29(25)21-13-15-22(16-14-21)36-32(43)37-47-3/h5-16H,17-20H2,1-4H3,(H2,36,37,43)
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| InChIKey |
AUWKQEMLKLOMEF-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