General Information of the Compound
| Compound ID |
CP0372891
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-pyrrolidin-3-yl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C23H23F2N3O3
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| Molecular Weight |
427.451
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C2CCNC2)c1=O
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| InChI |
InChI=1S/C23H23F2N3O3/c1-14-21(15-5-3-6-17(11-15)31-2)22(29)28(16-9-10-26-12-16)23(30)27(14)13-18-19(24)7-4-8-20(18)25/h3-8,11,16,26H,9-10,12-13H2,1-2H3
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| InChIKey |
JSEWNRZOBBMHTH-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