General Information of the Compound
| Compound ID |
CP0524325
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| Compound Name |
2-(5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-3-yl)-2-methylpropanenitrile
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| Structure |
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| Formula |
C19H17ClN4O
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| Molecular Weight |
352.825
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| Canonical SMILES |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C19H17ClN4O/c1-19(2,10-21)16-6-13(9-24-12-22-11-23-24)5-15(7-16)14-3-4-18(25)17(20)8-14/h3-8,11-12,25H,9H2,1-2H3
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| InChIKey |
GDWCPRDSHIDYSS-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