General Information of the Compound
| Compound ID |
CP0557964
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| Compound Name |
(E)-3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-methylamino]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H19NO4S
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| Molecular Weight |
417.486
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| Canonical SMILES |
CN(c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C24H19NO4S/c1-25(17-7-2-15(3-8-17)4-13-22(28)29)23-20-12-11-19(27)14-21(20)30-24(23)16-5-9-18(26)10-6-16/h2-14,26-27H,1H3,(H,28,29)/b13-4+
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| InChIKey |
YBOJGPZJNMJSJA-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