General Information of the Compound
| Compound ID |
CP0050489
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| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
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| Structure |
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| Formula |
C30H28F2N6O5S
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| Molecular Weight |
622.654
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| Canonical SMILES |
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c2c1CN(C)C
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| InChI |
InChI=1S/C30H28F2N6O5S/c1-36(2)15-21-25-27(39)38(19-12-13-24(42-3)33-14-19)30(41)37(16-20-22(31)6-5-7-23(20)32)28(25)44-26(21)17-8-10-18(11-9-17)34-29(40)35-43-4/h5-14H,15-16H2,1-4H3,(H2,34,35,40)
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| InChIKey |
DUZGTINKFAHXDT-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