General Information of the Compound
| Compound ID |
CP0124192
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| Compound Name |
(R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-fluoro-3-methoxyphenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoate
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| Structure |
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| Formula |
C32H30F5N3O5
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| Molecular Weight |
631.598
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| Canonical SMILES |
COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1
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| InChI |
InChI=1S/C32H30F5N3O5/c1-44-27-14-6-11-21(29(27)34)22-17-39(18-23-24(32(35,36)37)12-7-13-25(23)33)31(43)40(30(22)42)19-26(20-9-4-3-5-10-20)38-16-8-15-28(41)45-2/h3-7,9-14,17,26,38H,8,15-16,18-19H2,1-2H3/t26-/m0/s1
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| InChIKey |
FDMBTLJSOVSBHD-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