General Information of the Compound
| Compound ID |
CP0500936
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-{2-[(3-isobutoxy-propyl)-methyl-amino]-propyl}-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H39F2N3O4
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| Molecular Weight |
543.655
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)N(C)CCCOCC(C)C)c1=O
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| InChI |
InChI=1S/C30H39F2N3O4/c1-20(2)19-39-15-9-14-33(5)21(3)17-35-29(36)28(23-10-7-11-24(16-23)38-6)22(4)34(30(35)37)18-25-26(31)12-8-13-27(25)32/h7-8,10-13,16,20-21H,9,14-15,17-19H2,1-6H3
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| InChIKey |
IBGOMPAQWPCHCV-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