General Information of the Compound
| Compound ID |
CP0137685
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| Compound Name |
(R)-2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzylamino)acetic acid
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| Structure |
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| Formula |
C29H26F4N4O4
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| Molecular Weight |
570.543
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| Canonical SMILES |
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CNCC(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H26F4N4O4/c30-24-8-4-7-23(29(31,32)33)22(24)16-36-15-21(19-11-9-18(10-12-19)13-35-14-26(38)39)27(40)37(28(36)41)17-25(34)20-5-2-1-3-6-20/h1-12,15,25,35H,13-14,16-17,34H2,(H,38,39)/t25-/m0/s1
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| InChIKey |
BDBGKADVAYPDNK-VWLOTQADSA-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