General Information of the Compound
| Compound ID |
CP0532894
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H35F2N5O3
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| Molecular Weight |
575.66
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C32H35F2N5O3/c1-22-30(37-17-15-36(16-18-37)19-23-11-13-25(42-2)14-12-23)31(40)39(21-29(35)24-7-4-3-5-8-24)32(41)38(22)20-26-27(33)9-6-10-28(26)34/h3-14,29H,15-21,35H2,1-2H3/t29-/m0/s1
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| InChIKey |
CXYYFTUZSHYONZ-LJAQVGFWSA-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