General Information of the Compound
| Compound ID |
CP0905698
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| Compound Name |
4,6-Dichloro-5-(2-fluoro-benzyl)-2-(5-fiuoro-pyridin-2-yl)-pyrimidine
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| Structure |
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| Formula |
C16H9Cl2F2N3
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| Molecular Weight |
352.171
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| Canonical SMILES |
Fc1ccc(-c2nc(Cl)c(Cc3ccccc3F)c(Cl)n2)nc1
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| InChI |
InChI=1S/C16H9Cl2F2N3/c17-14-11(7-9-3-1-2-4-12(9)20)15(18)23-16(22-14)13-6-5-10(19)8-21-13/h1-6,8H,7H2
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| InChIKey |
GRTUCCZRVAWTQT-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