General Information of the Compound
| Compound ID |
CP0279567
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| Compound Name |
2-chloro-4-[2-[1-(2,4-difluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
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| Structure |
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| Formula |
C18H12ClF2N3
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| Molecular Weight |
343.764
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| Canonical SMILES |
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3
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| InChIKey |
OHTNGFRHJDYZSO-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