General Information of the Compound
| Compound ID |
CP0519438
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| Compound Name |
(E)-2-(4- hydroxyphenyl)-3-(4- (2-(2-methyl-2H- tetrazol-5-yl)vinyl)- phenoxy)benzo[b] thiophen-6-ol
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| Structure |
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| Formula |
C24H18N4O3S
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| Molecular Weight |
442.5
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| Canonical SMILES |
Cn1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)n1
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| InChI |
InChI=1S/C24H18N4O3S/c1-28-26-22(25-27-28)13-4-15-2-10-19(11-3-15)31-23-20-12-9-18(30)14-21(20)32-24(23)16-5-7-17(29)8-6-16/h2-14,29-30H,1H3/b13-4+
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| InChIKey |
PQBRIXNEOUDXGE-YIXHJXPBSA-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