General Information of the Compound
| Compound ID |
CP0048796
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[[6-(hydroxymethyl)pyridin-2-yl]methyl-methylamino]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 |
C36H32F2N6O5S
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| Molecular Weight |
698.752
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| Canonical SMILES |
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1cccc(CO)n1
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| InChI |
InChI=1S/C36H32F2N6O5S/c1-42(18-24-8-6-9-25(21-45)39-24)19-28-31-33(46)44(26-10-4-3-5-11-26)36(48)43(20-27-29(37)12-7-13-30(27)38)34(31)50-32(28)22-14-16-23(17-15-22)40-35(47)41-49-2/h3-17,45H,18-21H2,1-2H3,(H2,40,41,47)
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| InChIKey |
ZACNLCHZFCZBLK-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