General Information of the Compound
| Compound ID |
CP0544539
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| Compound Name |
3-[6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
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| Structure |
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| Formula |
C16H13N5O
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| Molecular Weight |
291.314
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| Canonical SMILES |
Cn1nccc1-c1ccc2nnn(-c3cccc(O)c3)c2c1
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| InChI |
InChI=1S/C16H13N5O/c1-20-15(7-8-17-20)11-5-6-14-16(9-11)21(19-18-14)12-3-2-4-13(22)10-12/h2-10,22H,1H3
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| InChIKey |
BXEKXFHKCROTOF-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