General Information of the Compound
| Compound ID |
CP0554108
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| Compound Name |
N-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H28F3N7O3
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| Molecular Weight |
555.561
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccc(cc2)C(F)(F)F)n1
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| InChI |
InChI=1S/C27H28F3N7O3/c1-4-24(38)32-19-15-20(22(40-3)16-21(19)37-13-11-36(2)12-14-37)33-26-31-10-9-23(35-26)34-25(39)17-5-7-18(8-6-17)27(28,29)30/h4-10,15-16H,1,11-14H2,2-3H3,(H,32,38)(H2,31,33,34,35,39)
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| InChIKey |
XKWRCIFNOMMIOC-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