General Information of the Compound
| Compound ID |
CP0496919
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| Compound Name |
4-{[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile
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| Structure |
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| Formula |
C17H14ClN5O2
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| Molecular Weight |
355.785
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| Canonical SMILES |
COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1O
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| InChI |
InChI=1S/C17H14ClN5O2/c1-25-16-7-13(6-15(18)17(16)24)9-23(22-10-20-21-11-22)14-4-2-12(8-19)3-5-14/h2-7,10-11,24H,9H2,1H3
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| InChIKey |
YSNIFQTZHYJRFW-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