General Information of the Compound
| Compound ID |
CP0069025
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| Compound Name |
3-chloro-5-[6-(4-fluoropyrazol-1-yl)pyrimidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C14H7ClFN5
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| Molecular Weight |
299.696
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| Canonical SMILES |
Fc1cnn(c1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C14H7ClFN5/c15-11-2-9(5-17)1-10(3-11)13-4-14(19-8-18-13)21-7-12(16)6-20-21/h1-4,6-8H
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| InChIKey |
XCUHXIOQUHNXIQ-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