General Information of the Compound
| Compound ID |
CP0482890
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| Compound Name |
3-[(2R)-2-amino-2-(2-hydroxyphenyl)ethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H32F4N6O5
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| Molecular Weight |
656.637
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C32H32F4N6O5/c1-20-29(39-14-12-38(13-15-39)17-21-6-4-7-22(16-21)42(46)47)30(44)41(19-27(37)23-8-2-3-11-28(23)43)31(45)40(20)18-24-25(32(34,35)36)9-5-10-26(24)33/h2-11,16,27,43H,12-15,17-19,37H2,1H3/t27-/m0/s1
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| InChIKey |
HJBXCJFPMUUPQQ-MHZLTWQESA-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