General Information of the Compound
| Compound ID |
CP0546247
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| Compound Name |
(E)-3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]amino]phenyl]prop-2-enoic acid
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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 |
OC(=O)\C=C\c1ccc(Nc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C23H17NO4S/c25-17-8-4-15(5-9-17)23-22(19-11-10-18(26)13-20(19)29-23)24-16-6-1-14(2-7-16)3-12-21(27)28/h1-13,24-26H,(H,27,28)/b12-3+
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| InChIKey |
LLTGDAJTZYQHQP-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