General Information of the Compound
| Compound ID |
CP0292069
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[methyl-[2-(triazol-1-yl)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 |
C33H30F2N8O4S
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| Molecular Weight |
672.718
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| Canonical SMILES |
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCn1ccnn1
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| InChI |
InChI=1S/C33H30F2N8O4S/c1-40(17-18-41-16-15-36-39-41)19-25-28-30(44)43(23-7-4-3-5-8-23)33(46)42(20-24-26(34)9-6-10-27(24)35)31(28)48-29(25)21-11-13-22(14-12-21)37-32(45)38-47-2/h3-16H,17-20H2,1-2H3,(H2,37,38,45)
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| InChIKey |
VNISZKLRKNEAMG-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