General Information of the Compound
| Compound ID |
CP0214400
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| Compound Name |
(R)-3-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}propionic Acid
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| Structure |
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| Formula |
C31H28F5N3O5
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| Molecular Weight |
617.571
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCC(O)=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C31H28F5N3O5/c1-18-27(20-10-6-13-25(44-2)28(20)33)29(42)39(17-24(37-15-14-26(40)41)19-8-4-3-5-9-19)30(43)38(18)16-21-22(31(34,35)36)11-7-12-23(21)32/h3-13,24,37H,14-17H2,1-2H3,(H,40,41)/t24-/m0/s1
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| InChIKey |
HTGWEIMTGKBAKN-DEOSSOPVSA-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