General Information of the Compound
| Compound ID |
CP0418511
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-[(S)-2-(1-ethyl-propylamino)-propyl]-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H32F3N3O3
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| Molecular Weight |
503.565
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| Canonical SMILES |
CCC(CC)N[C@@H](C)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F
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| InChI |
InChI=1S/C27H32F3N3O3/c1-6-18(7-2)31-16(3)14-33-26(34)24(19-10-8-13-23(36-5)25(19)30)17(4)32(27(33)35)15-20-21(28)11-9-12-22(20)29/h8-13,16,18,31H,6-7,14-15H2,1-5H3/t16-/m0/s1
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| InChIKey |
UXNZETLDJXINSZ-INIZCTEOSA-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