General Information of the Compound
| Compound ID |
CP0344569
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-3-(2-ethoxyethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
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| Structure |
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| Formula |
C30H35F2N5O6S
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| Molecular Weight |
631.702
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| Canonical SMILES |
CCOCCn1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)CCOC)c2c1=O)-c1ccc(NC(=O)NOC)cc1
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| InChI |
InChI=1S/C30H35F2N5O6S/c1-5-43-16-14-36-27(38)25-22(17-35(2)13-15-41-3)26(19-9-11-20(12-10-19)33-29(39)34-42-4)44-28(25)37(30(36)40)18-21-23(31)7-6-8-24(21)32/h6-12H,5,13-18H2,1-4H3,(H2,33,34,39)
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| InChIKey |
GRKANJRMMDQVRY-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