General Information of the Compound
| Compound ID |
CP0515453
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-[2-(4-nitro-phenylamino)-thiazol-4-yl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H24F2N6O4S
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| Molecular Weight |
590.612
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| Canonical SMILES |
Cc1c(-c2csc(Nc3ccc(cc3)[N+]([O-])=O)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C29H24F2N6O4S/c1-17-26(25-16-42-28(34-25)33-19-10-12-20(13-11-19)37(40)41)27(38)36(15-24(32)18-6-3-2-4-7-18)29(39)35(17)14-21-22(30)8-5-9-23(21)31/h2-13,16,24H,14-15,32H2,1H3,(H,33,34)/t24-/m0/s1
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| InChIKey |
GWUBKTSOKMYJPQ-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