General Information of the Compound
| Compound ID |
CP0526919
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| Compound Name |
(2E)-3-{3-chloro-4-[4-hydroxy-3-(2-methyl-1,3-dithian-2-yl)phenyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C20H19ClO3S2
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| Molecular Weight |
406.956
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| Canonical SMILES |
CC1(SCCCS1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C20H19ClO3S2/c1-20(25-9-2-10-26-20)16-12-14(5-7-18(16)22)15-6-3-13(11-17(15)21)4-8-19(23)24/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)/b8-4+
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| InChIKey |
VNFDEGDKIVKVNJ-XBXARRHUSA-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