General Information of the Compound
| Compound ID |
CP0432545
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-amino-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 |
C23H21F2N5O2S
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| Molecular Weight |
469.517
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| Canonical SMILES |
Cc1c(-c2csc(N)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C23H21F2N5O2S/c1-13-20(19-12-33-22(27)28-19)21(31)30(11-18(26)14-6-3-2-4-7-14)23(32)29(13)10-15-16(24)8-5-9-17(15)25/h2-9,12,18H,10-11,26H2,1H3,(H2,27,28)/t18-/m0/s1
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| InChIKey |
IHJJASHAVJIZJI-SFHVURJKSA-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