General Information of the Compound
| Compound ID |
CP0379160
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(3,4-dimethoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H29F2N5O4S
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| Molecular Weight |
605.667
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| Canonical SMILES |
COc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1OC
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| InChI |
InChI=1S/C31H29F2N5O4S/c1-18-28(25-17-43-30(36-25)35-20-12-13-26(41-2)27(14-20)42-3)29(39)38(16-24(34)19-8-5-4-6-9-19)31(40)37(18)15-21-22(32)10-7-11-23(21)33/h4-14,17,24H,15-16,34H2,1-3H3,(H,35,36)/t24-/m0/s1
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| InChIKey |
MZMVVTBQBJZMOD-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