General Information of the Compound
| Compound ID |
CP0532903
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| Compound Name |
methyl 5-[[4-[1-[(2R)-2-amino-2-phenylethyl]-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-5-yl]piperazin-1-yl]methyl]furan-2-carboxylate
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| Structure |
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| Formula |
C32H33F4N5O5
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| Molecular Weight |
643.638
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCN(CC2)c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)o1
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| InChI |
InChI=1S/C32H33F4N5O5/c1-20-28(39-15-13-38(14-16-39)17-22-11-12-27(46-22)30(43)45-2)29(42)41(19-26(37)21-7-4-3-5-8-21)31(44)40(20)18-23-24(32(34,35)36)9-6-10-25(23)33/h3-12,26H,13-19,37H2,1-2H3/t26-/m0/s1
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| InChIKey |
PIOUJGFNLUFONS-SANMLTNESA-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