General Information of the Compound
| Compound ID |
CP0370351
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| Compound Name |
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-trifluoromethoxy-benzyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C26H22F4N4O5
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| Molecular Weight |
546.477
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2OC(F)(F)F)c1=O
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| InChI |
InChI=1S/C26H22F4N4O5/c1-38-21-13-7-11-19(22(21)27)34-24(36)32(14-17-10-5-6-12-20(17)39-26(28,29)30)23(35)33(25(34)37)15-18(31)16-8-3-2-4-9-16/h2-13,18H,14-15,31H2,1H3/t18-/m0/s1
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| InChIKey |
LJJACIKIUOHOLD-SFHVURJKSA-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