General Information of the Compound
| Compound ID |
CP0488140
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| Compound Name |
3-((R)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H23F2N3O3
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| Molecular Weight |
415.44
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N)c1=O
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| InChI |
InChI=1S/C22H23F2N3O3/c1-13(25)11-27-21(28)20(15-6-4-7-16(10-15)30-3)14(2)26(22(27)29)12-17-18(23)8-5-9-19(17)24/h4-10,13H,11-12,25H2,1-3H3/t13-/m1/s1
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| InChIKey |
AYPFBVKPMHZLON-CYBMUJFWSA-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