General Information of the Compound
| Compound ID |
CP0548978
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| Compound Name |
N-[3-[[2-[4-[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H31FN6O5
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| Molecular Weight |
538.58
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| Canonical SMILES |
COCCN(CCOC)C(=O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
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| InChI |
InChI=1S/C27H31FN6O5/c1-4-24(35)30-20-6-5-7-21(16-20)31-26-23(28)17-29-27(33-26)32-19-8-10-22(11-9-19)39-18-25(36)34(12-14-37-2)13-15-38-3/h4-11,16-17H,1,12-15,18H2,2-3H3,(H,30,35)(H2,29,31,32,33)
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| InChIKey |
ASEPSYLPAFHCSZ-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