General Information of the Compound
| Compound ID |
CP0463520
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| Compound Name |
5-(3-Chloro-phenyl)-1-(2,6-difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H27ClF2N4O2
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| Molecular Weight |
524.999
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H27ClF2N4O2/c1-19-26(20-7-5-8-21(29)17-20)27(36)34(16-15-33(2)14-12-22-9-3-4-13-32-22)28(37)35(19)18-23-24(30)10-6-11-25(23)31/h3-11,13,17H,12,14-16,18H2,1-2H3
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| InChIKey |
YGUJDFKDMMOLLH-UHFFFAOYSA-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