General Information of the Compound
| Compound ID |
CP0482892
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H33F4N5O3
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| Molecular Weight |
599.629
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| Canonical SMILES |
Cc1ccc(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/C31H33F4N5O3/c1-20-11-12-23(43-20)17-37-13-15-38(16-14-37)28-21(2)39(18-24-25(31(33,34)35)9-6-10-26(24)32)30(42)40(29(28)41)19-27(36)22-7-4-3-5-8-22/h3-12,27H,13-19,36H2,1-2H3/t27-/m0/s1
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| InChIKey |
IVJZBNKUZAHYQI-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