General Information of the Compound
| Compound ID |
CP0485935
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(2,4-dimethyl-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H29F2N5O2S
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| Molecular Weight |
573.669
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| Canonical SMILES |
Cc1ccc(Nc2nc(cs2)-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(C)c1
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| InChI |
InChI=1S/C31H29F2N5O2S/c1-18-12-13-26(19(2)14-18)35-30-36-27(17-41-30)28-20(3)37(15-22-23(32)10-7-11-24(22)33)31(40)38(29(28)39)16-25(34)21-8-5-4-6-9-21/h4-14,17,25H,15-16,34H2,1-3H3,(H,35,36)/t25-/m0/s1
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| InChIKey |
OBEXAQOCYJGUKL-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