General Information of the Compound
| Compound ID |
CP0562738
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| Compound Name |
1-(3-hydroxyphenyl)-6-(2-methylpyrazol-3-yl)benzotriazole-4-carbonitrile
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| Structure |
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| Formula |
C17H12N6O
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| Molecular Weight |
316.324
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| Canonical SMILES |
Cn1nccc1-c1cc(C#N)c2nnn(-c3cccc(O)c3)c2c1
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| InChI |
InChI=1S/C17H12N6O/c1-22-15(5-6-19-22)11-7-12(10-18)17-16(8-11)23(21-20-17)13-3-2-4-14(24)9-13/h2-9,24H,1H3
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| InChIKey |
KWAPWIWNWOEFEG-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