General Information of the Compound
| Compound ID |
CP0481013
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| Compound Name |
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C39H36F2N4O4S
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| Molecular Weight |
694.804
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
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| InChI |
InChI=1S/C39H36F2N4O4S/c1-24(2)36(46)42-27-18-16-26(17-19-27)35-31(22-43(3)21-25-10-6-5-7-11-25)34-37(47)45(28-12-8-13-29(20-28)49-4)39(48)44(38(34)50-35)23-30-32(40)14-9-15-33(30)41/h5-20,24H,21-23H2,1-4H3,(H,42,46)
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| InChIKey |
NCNKFVKUGBSINN-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