General Information of the Compound
| Compound ID |
CP0291044
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| Compound Name |
methyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate
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| Structure |
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| Formula |
C33H32F5N3O5
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| Molecular Weight |
645.625
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| Canonical SMILES |
COC(=O)CCCN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1
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| InChI |
InChI=1S/C33H32F5N3O5/c1-20-29(22-12-7-15-27(45-2)30(22)35)31(43)41(19-26(21-10-5-4-6-11-21)39-17-9-16-28(42)46-3)32(44)40(20)18-23-24(33(36,37)38)13-8-14-25(23)34/h4-8,10-15,26,39H,9,16-19H2,1-3H3/t26-/m0/s1
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| InChIKey |
FRLGCDYZXBVROR-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