General Information of the Compound
| Compound ID |
CP0385751
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| Compound Name |
3-chloro-4-fluoro-5-(6-pyridin-2-ylpyrimidin-4-yl)benzonitrile
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| Structure |
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| Formula |
C16H8ClFN4
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| Molecular Weight |
310.719
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| Canonical SMILES |
Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H
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| InChIKey |
TXGGVBSAKFDBNT-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