General Information of the Compound
| Compound ID |
CP0137679
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| Compound Name |
(R)-4-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)butanoic 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 |
Cc1c(-c2cccc(OCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C31H28F5N3O5/c1-18-27(20-10-5-13-25(28(20)33)44-15-7-14-26(40)41)29(42)39(17-24(37)19-8-3-2-4-9-19)30(43)38(18)16-21-22(31(34,35)36)11-6-12-23(21)32/h2-6,8-13,24H,7,14-17,37H2,1H3,(H,40,41)/t24-/m0/s1
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| InChIKey |
GXMAQGOTQMHUBR-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