General Information of the Compound
| Compound ID |
CP0458522
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| Compound Name |
(E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b] thiophen-3- yl)oxy)phenyl)-N-(2- hydroxyethyl)acrylamide
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| Structure |
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| Formula |
C25H21NO5S
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| Molecular Weight |
447.512
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| Canonical SMILES |
OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C25H21NO5S/c27-14-13-26-23(30)12-3-16-1-9-20(10-2-16)31-24-21-11-8-19(29)15-22(21)32-25(24)17-4-6-18(28)7-5-17/h1-12,15,27-29H,13-14H2,(H,26,30)/b12-3+
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| InChIKey |
ZMVBUHBWRJLOBX-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