General Information of the Compound
| Compound ID |
CP0511198
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-{(S)-2-[(5-ethyl-furan-2-ylmethyl)-amino]-propyl}-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H30F3N3O4
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| Molecular Weight |
541.57
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| Canonical SMILES |
CCc1ccc(CN[C@@H](C)Cn2c(=O)c(c(C)n(Cc3c(F)cccc3F)c2=O)-c2cccc(OC)c2F)o1
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| InChI |
InChI=1S/C29H30F3N3O4/c1-5-19-12-13-20(39-19)14-33-17(2)15-35-28(36)26(21-8-6-11-25(38-4)27(21)32)18(3)34(29(35)37)16-22-23(30)9-7-10-24(22)31/h6-13,17,33H,5,14-16H2,1-4H3/t17-/m0/s1
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| InChIKey |
DZTZDGWFNHWZGV-KRWDZBQOSA-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