General Information of the Compound
| Compound ID |
CP0477705
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| Compound Name |
(E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b]thiophen-3- yl)oxy)phenyl)acrylamide
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| Structure |
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| Formula |
C23H17NO4S
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| Molecular Weight |
403.459
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| Canonical SMILES |
NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C23H17NO4S/c24-21(27)12-3-14-1-9-18(10-2-14)28-22-19-11-8-17(26)13-20(19)29-23(22)15-4-6-16(25)7-5-15/h1-13,25-26H,(H2,24,27)/b12-3+
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| InChIKey |
VSTANNMHRYLYHJ-KGVSQERTSA-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