General Information of the Compound
| Compound ID |
CP0274207
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| Compound Name |
2-[[2-[4-[[[3,4-dioxo-2-[2-(prop-2-enoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylbenzamide
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| Formula |
C29H27F3N8O4
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| Molecular Weight |
608.581
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C29H27F3N8O4/c1-3-21(41)34-12-13-35-22-23(25(43)24(22)42)36-14-16-8-10-17(11-9-16)38-28-37-15-19(29(30,31)32)26(40-28)39-20-7-5-4-6-18(20)27(44)33-2/h3-11,15,35-36H,1,12-14H2,2H3,(H,33,44)(H,34,41)(H2,37,38,39,40)
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| InChIKey |
HTADFAXGWGDWNE-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