General Information of the Compound
| Compound ID |
CP0476180
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| Compound Name |
(E)-3-(4-((2-(2- (dimethylamino)phenyl)- 6-hydroxybenzo[b] thiophen-3- yl)oxy)phenyl)acrylic acid
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| Structure |
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| Formula |
C25H21NO4S
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| Molecular Weight |
431.513
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| Canonical SMILES |
CN(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C25H21NO4S/c1-26(2)21-6-4-3-5-19(21)25-24(20-13-10-17(27)15-22(20)31-25)30-18-11-7-16(8-12-18)9-14-23(28)29/h3-15,27H,1-2H3,(H,28,29)/b14-9+
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| InChIKey |
UDXZFFICTQBXSV-NTEUORMPSA-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