General Information of the Compound
| Compound ID |
CP0338285
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[methyl(pyridin-3-ylmethyl)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 |
C35H30F2N6O4S
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| Molecular Weight |
668.726
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| Canonical SMILES |
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1cccnc1
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| InChI |
InChI=1S/C35H30F2N6O4S/c1-41(19-22-8-7-17-38-18-22)20-27-30-32(44)43(25-9-4-3-5-10-25)35(46)42(21-26-28(36)11-6-12-29(26)37)33(30)48-31(27)23-13-15-24(16-14-23)39-34(45)40-47-2/h3-18H,19-21H2,1-2H3,(H2,39,40,45)
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| InChIKey |
WZCBXBZTJJQFLE-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