General Information of the Compound
| Compound ID |
CP0544537
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| Compound Name |
3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
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| Structure |
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| Formula |
C18H15N5O
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| Molecular Weight |
317.352
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| Canonical SMILES |
Cn1nccc1-c1cc(C=C)c2nnn(-c3cccc(O)c3)c2c1
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| InChI |
InChI=1S/C18H15N5O/c1-3-12-9-13(16-7-8-19-22(16)2)10-17-18(12)20-21-23(17)14-5-4-6-15(24)11-14/h3-11,24H,1H2,2H3
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| InChIKey |
FUCMPBZHQGJGOT-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