General Information of the Compound
| Compound ID |
CP0927550
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| Compound Name |
1-(5-((1H-tetrazol-5-yl)methoxy)-2-hydroxyphenyl)-3-(3-(2-(quinolin-2-yl)vinyl)phenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C28H21N5O3
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| Molecular Weight |
475.508
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| Canonical SMILES |
O=C(/C=C/c1cccc(/C=C/c2ccc3ccccc3n2)c1)c1cc(OCc2nn[nH]n2)ccc1O
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| InChI |
InChI=1S/C28H21N5O3/c34-26(24-17-23(13-15-27(24)35)36-18-28-30-32-33-31-28)14-9-20-5-3-4-19(16-20)8-11-22-12-10-21-6-1-2-7-25(21)29-22/h1-17,35H,18H2,(H,30,31,32,33)/b11-8+,14-9+
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| InChIKey |
HWJRCRHRKQMNQM-GBMJPCLJSA-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