General Information of the Compound
| Compound ID |
CP0262813
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| Compound Name |
6-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C17H15ClF3N3O3
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| Molecular Weight |
401.772
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| Canonical SMILES |
Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C17H15ClF3N3O3/c1-22-12-7-13(23(2)14(12)15(25)24(3)16(22)26)27-8-9-4-5-11(18)10(6-9)17(19,20)21/h4-7H,8H2,1-3H3
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| InChIKey |
TXKXESVRMJEVTR-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