General Information of the Compound
| Compound ID |
CP0935280
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| Compound Name |
1-(2-hydroxy-5-(1H-tetrazol-5-yl)phenyl)-3-(4-(quinolin-2-ylmethoxy)phenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H19N5O3
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| Molecular Weight |
449.47
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| Canonical SMILES |
O=C(/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1)c1cc(-c2nn[nH]n2)ccc1O
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| InChI |
InChI=1S/C26H19N5O3/c32-24(22-15-19(9-14-25(22)33)26-28-30-31-29-26)13-7-17-5-11-21(12-6-17)34-16-20-10-8-18-3-1-2-4-23(18)27-20/h1-15,33H,16H2,(H,28,29,30,31)/b13-7+
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| InChIKey |
RQGVZKQWFKFPHB-NTUHNPAUSA-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