General Information of the Compound
| Compound ID |
CP0379165
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(5-methyl-thiophen-2-yl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C25H23F2N3O2S
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| Molecular Weight |
467.541
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| Canonical SMILES |
Cc1ccc(s1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C25H23F2N3O2S/c1-15-11-12-22(33-15)23-16(2)29(13-18-19(26)9-6-10-20(18)27)25(32)30(24(23)31)14-21(28)17-7-4-3-5-8-17/h3-12,21H,13-14,28H2,1-2H3/t21-/m0/s1
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| InChIKey |
ZQSYMZAURGWTGA-NRFANRHFSA-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