General Information of the Compound
| Compound ID |
CP0541730
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-benzylamino-thiazol-4-yl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H27F2N5O2S
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| Molecular Weight |
559.642
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| Canonical SMILES |
Cc1c(-c2csc(NCc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C30H27F2N5O2S/c1-19-27(26-18-40-29(35-26)34-15-20-9-4-2-5-10-20)28(38)37(17-25(33)21-11-6-3-7-12-21)30(39)36(19)16-22-23(31)13-8-14-24(22)32/h2-14,18,25H,15-17,33H2,1H3,(H,34,35)/t25-/m0/s1
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| InChIKey |
ZKWZMMLVLFTSMN-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