General Information of the Compound
| Compound ID |
CP0468801
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| Compound Name |
ethoxy-[3-[[(1R)-2-[3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-phenylethyl]amino]propyl]phosphinic acid
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| Structure |
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| Formula |
C36H41F7N5O6P
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| Molecular Weight |
803.713
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| Canonical SMILES |
CCOP(O)(=O)CCCN[C@@H](Cn1c(=O)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1
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| InChI |
InChI=1S/C36H41F7N5O6P/c1-3-53-55(51,52)20-8-15-44-30(25-9-5-4-6-10-25)23-48-33(49)32(46-18-16-45(17-19-46)21-26-13-14-31(54-26)36(41,42)43)24(2)47(34(48)50)22-27-28(35(38,39)40)11-7-12-29(27)37/h4-7,9-14,30,44H,3,8,15-23H2,1-2H3,(H,51,52)/t30-/m0/s1
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| InChIKey |
PSCZZTOPXKLODS-PMERELPUSA-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