General Information of the Compound
| Compound ID |
CP0375954
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| Compound Name |
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-chloro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C25H22ClFN4O4
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| Molecular Weight |
496.926
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O
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| InChI |
InChI=1S/C25H22ClFN4O4/c1-35-21-13-7-12-20(22(21)27)31-24(33)29(14-17-10-5-6-11-18(17)26)23(32)30(25(31)34)15-19(28)16-8-3-2-4-9-16/h2-13,19H,14-15,28H2,1H3/t19-/m0/s1
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| InChIKey |
WETZOXYBXSFOAO-IBGZPJMESA-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