General Information of the Compound
| Compound ID |
CP0480336
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(2,3-dihydro-benzofuran-5-yl)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H26F2N4O3S
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| Molecular Weight |
572.637
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| Canonical SMILES |
Cc1c(-c2csc(n2)-c2ccc3OCCc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C31H26F2N4O3S/c1-18-28(26-17-41-29(35-26)21-10-11-27-20(14-21)12-13-40-27)30(38)37(16-25(34)19-6-3-2-4-7-19)31(39)36(18)15-22-23(32)8-5-9-24(22)33/h2-11,14,17,25H,12-13,15-16,34H2,1H3/t25-/m0/s1
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| InChIKey |
ZVAOHTOLWMUTDX-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